Online Demo Results

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Enoxacin C15H17FN4O3·1.7H2O
Specifier Space group
Extraction Method AutoTableParser
Specifier Updated False
Specifier Crystal system
System Monoclinic
Value 3127.5
Units Angstrom^(3.0)
Raw Value 3127.5(4)
Raw Units Å3
Specifier V
error 0.4
Symbol P21/c
Specifier Space group
Value 8.4124
Units Angstrom^(1.0)
Raw Value 8.4124(6)
Raw Units Å
Specifier a
error 0.0006000000000000001
Value 22.0645
Units Angstrom^(1.0)
Raw Value 22.0645(15)
Raw Units Å
Specifier b
error 0.0015
Value 100.896
Units Degrees^(1.0)
Raw Value 100.896(1)
Raw Units [°]
Specifier β
error 0.001
Value 90.0
Units Degrees^(1.0)
Raw Value 90
Raw Units [°]
Specifier α
Value 90.0
Units Degrees^(1.0)
Raw Value 90
Raw Units [°]
Specifier γ
Specifier Space group
Value 8.0
Raw Value 8
Specifier Z
Value 1481.0
Raw Value 1481
Specifier F(000)
Value 100.0
Units Kelvin^(1.0)
Raw Value 100
Raw Units K
Specifier T
Value 0.12
Units (10^3.0) * Meter^(-1.0)
Raw Value 0.120
Raw Units [/mm]
Specifier μ
Value 422.21
Raw Value 422.21
Specifier Formula weight
Nadifloxacin C19H21FN2O4·0.5H2O
Specifier Space group
Extraction Method AutoTableParser
Specifier Updated False
Specifier Crystal system
System Monoclinic
Value 1949.0
Units Angstrom^(3.0)
Raw Value 1949.0(7)
Raw Units Å3
Specifier V
error 0.7000000000000001
Symbol P21/c
Specifier Space group
Value 5.2
Units Angstrom^(1.0)
Raw Value 5.200(1)
Raw Units Å
Specifier a
error 0.001
Value 39.96
Units Angstrom^(1.0)
Raw Value 39.960(8)
Raw Units Å
Specifier b
error 0.008
Value 90.55
Units Degrees^(1.0)
Raw Value 90.55(3)
Raw Units [°]
Specifier β
error 0.03
Value 90.0
Units Degrees^(1.0)
Raw Value 90
Raw Units [°]
Specifier α
Value 90.0
Units Degrees^(1.0)
Raw Value 90
Raw Units [°]
Specifier γ
Specifier Space group
Value 4.0
Raw Value 4
Specifier Z
Value 885.0
Raw Value 885
Specifier F(000)
Value 100.0
Units Kelvin^(1.0)
Raw Value 100
Raw Units K
Specifier T
Value 0.249
Units (10^3.0) * Meter^(-1.0)
Raw Value 0.249
Raw Units [/mm]
Specifier μ
Value 369.385
Raw Value 369.385
Specifier Formula weight
Norfloxacin C16H18FN3O3
Specifier Space group
Extraction Method AutoTableParser
Specifier Updated False
Specifier Crystal system
System Triclinic
Value 712.34
Units Angstrom^(3.0)
Raw Value 712.34(18)
Raw Units Å3
Specifier V
error 0.18
Symbol P
Specifier Space group
Value 4.26
Units Angstrom^(1.0)
Raw Value 4.2600(6)
Raw Units Å
Specifier a
error 0.0006000000000000001
Value 9.7217
Units Angstrom^(1.0)
Raw Value 9.7217(12)
Raw Units Å
Specifier b
error 0.0012000000000000001
Value 17.862
Units Angstrom^(1.0)
Raw Value 17.862(3)
Raw Units Å
Specifier c
error 0.003
Value 87.712
Units Degrees^(1.0)
Raw Value 87.712(9)
Raw Units [°]
Specifier β
error 0.009000000000000001
Value 78.225
Units Degrees^(1.0)
Raw Value 78.225(8)
Raw Units [°]
Specifier α
error 0.008
Value 79.626
Units Degrees^(1.0)
Raw Value 79.626(7)
Raw Units [°]
Specifier γ
error 0.007
Specifier Space group
Value 2.0
Raw Value 2
Specifier Z
Value 336.0
Raw Value 336
Specifier F(000)
Value 100.0
Units Kelvin^(1.0)
Raw Value 100
Raw Units K
Specifier T
Value 0.949
Units (10^3.0) * Meter^(-1.0)
Raw Value 0.949
Raw Units [/mm]
Specifier μ
Value 319.33
Raw Value 319.33
Specifier Formula weight
Norfloxacin C16H18FN3O3·2H2O
Specifier Space group
Extraction Method AutoTableParser
Specifier Updated False
Specifier Crystal system
System Monoclinic
Value 1592.0
Units Angstrom^(3.0)
Raw Value 1592.0(2)
Raw Units Å3
Specifier V
error 0.2
Symbol P21/c
Specifier Space group
Value 8.2477
Units Angstrom^(1.0)
Raw Value 8.2477(6)
Raw Units Å
Specifier a
error 0.0006000000000000001
Value 21.6745
Units Angstrom^(1.0)
Raw Value 21.6745(17)
Raw Units Å
Specifier b
error 0.0017000000000000001
Value 110.692
Units Degrees^(1.0)
Raw Value 110.692(1)
Raw Units [°]
Specifier β
error 0.001
Value 90.0
Units Degrees^(1.0)
Raw Value 90
Raw Units [°]
Specifier α
Value 90.0
Units Degrees^(1.0)
Raw Value 90
Raw Units [°]
Specifier γ
Specifier Space group
Value 4.0
Raw Value 4
Specifier Z
Value 752.0
Raw Value 752
Specifier F(000)
Value 100.0
Units Kelvin^(1.0)
Raw Value 100
Raw Units K
Specifier T
Value 0.118
Units (10^3.0) * Meter^(-1.0)
Raw Value 0.118
Raw Units [/mm]
Specifier μ
Value 355.37
Raw Value 355.37
Specifier Formula weight
Ofloxacin C18H20FN3O4
Specifier Space group
Extraction Method AutoTableParser
Specifier Updated False
Specifier Crystal system
System Monoclinic
Value 3264.4
Units Angstrom^(3.0)
Raw Value 3264.4(12)
Raw Units Å3
Specifier V
error 1.2000000000000002
Symbol C2/c
Specifier Space group
Value 30.073
Units Angstrom^(1.0)
Raw Value 30.073(6)
Raw Units Å
Specifier a
error 0.006
Value 6.7129
Units Angstrom^(1.0)
Raw Value 6.7129(14)
Raw Units Å
Specifier b
error 0.0014
Value 104.76
Units Degrees^(1.0)
Raw Value 104.76(3)
Raw Units [°]
Specifier β
error 0.03
Value 90.0
Units Degrees^(1.0)
Raw Value 90
Raw Units [°]
Specifier α
Value 90.0
Units Degrees^(1.0)
Raw Value 90
Raw Units [°]
Specifier γ
Specifier Space group
Value 8.0
Raw Value 8
Specifier Z
Value 1520.0
Raw Value 1520
Specifier F(000)
Value 100.0
Units Kelvin^(1.0)
Raw Value 100
Raw Units K
Specifier T
Value 0.069
Units (10^3.0) * Meter^(-1.0)
Raw Value 0.069
Raw Units [/mm]
Specifier μ
Value 361.37
Raw Value 361.37
Specifier Formula weight
Table-standardization powered by TableDataExtractor, view originals here
Data Row Categories Column Categories
351.28 Formula weight Enoxacin , C15H17FN4O3·1.7H2O
422.21 Formula weight Lomefloxacin , C17H20F2N3O3·2H2O ·0.95Cl
369.385 Formula weight Nadifloxacin , C19H21FN2O4·0.5H2O
319.33 Formula weight Norfloxacin , C16H18FN3O3
355.37 Formula weight Norfloxacin , C16H18FN3O3·2H2O
361.37 Formula weight Ofloxacin , C18H20FN3O4
Monoclinic Crystal system Enoxacin , C15H17FN4O3·1.7H2O
Monoclinic Crystal system Lomefloxacin , C17H20F2N3O3·2H2O ·0.95Cl
Monoclinic Crystal system Nadifloxacin , C19H21FN2O4·0.5H2O
Triclinic Crystal system Norfloxacin , C16H18FN3O3
Monoclinic Crystal system Norfloxacin , C16H18FN3O3·2H2O
Monoclinic Crystal system Ofloxacin , C18H20FN3O4
P21/c (No. 14) Space group Enoxacin , C15H17FN4O3·1.7H2O
P21/c (No. 14) Space group Lomefloxacin , C17H20F2N3O3·2H2O ·0.95Cl
P21/n (No. 14) Space group Nadifloxacin , C19H21FN2O4·0.5H2O
P (No. 2) Space group Norfloxacin , C16H18FN3O3
P21/c (No. 14) Space group Norfloxacin , C16H18FN3O3·2H2O
C2/c (No. 15) Space group Ofloxacin , C18H20FN3O4
8 Z Enoxacin , C15H17FN4O3·1.7H2O
4 Z Lomefloxacin , C17H20F2N3O3·2H2O ·0.95Cl
4 Z Nadifloxacin , C19H21FN2O4·0.5H2O
2 Z Norfloxacin , C16H18FN3O3
4 Z Norfloxacin , C16H18FN3O3·2H2O
8 Z Ofloxacin , C18H20FN3O4
8.4124(6) a/Å Enoxacin , C15H17FN4O3·1.7H2O
5.200(1) a/Å Lomefloxacin , C17H20F2N3O3·2H2O ·0.95Cl
10.7365(5) a/Å Nadifloxacin , C19H21FN2O4·0.5H2O
4.2600(6) a/Å Norfloxacin , C16H18FN3O3
8.2477(6) a/Å Norfloxacin , C16H18FN3O3·2H2O
30.073(6) a/Å Ofloxacin , C18H20FN3O4
22.0645(15) b/Å Enoxacin , C15H17FN4O3·1.7H2O
39.960(8) b/Å Lomefloxacin , C17H20F2N3O3·2H2O ·0.95Cl
17.1268(8) b/Å Nadifloxacin , C19H21FN2O4·0.5H2O
9.7217(12) b/Å Norfloxacin , C16H18FN3O3
21.6745(17) b/Å Norfloxacin , C16H18FN3O3·2H2O
6.7129(14) b/Å Ofloxacin , C18H20FN3O4
17.1587(12) c/Å Enoxacin , C15H17FN4O3·1.7H2O
9.380(2) c/Å Lomefloxacin , C17H20F2N3O3·2H2O ·0.95Cl
18.7756(8) c/Å Nadifloxacin , C19H21FN2O4·0.5H2O
17.862(3) c/Å Norfloxacin , C16H18FN3O3
9.5199(7) c/Å Norfloxacin , C16H18FN3O3·2H2O
16.722(3) c/Å Ofloxacin , C18H20FN3O4
90 α [°] Enoxacin , C15H17FN4O3·1.7H2O
90 α [°] Lomefloxacin , C17H20F2N3O3·2H2O ·0.95Cl
90 α [°] Nadifloxacin , C19H21FN2O4·0.5H2O
78.225(8) α [°] Norfloxacin , C16H18FN3O3
90 α [°] Norfloxacin , C16H18FN3O3·2H2O
90 α [°] Ofloxacin , C18H20FN3O4
100.896(1) β [°] Enoxacin , C15H17FN4O3·1.7H2O
90.55(3) β [°] Lomefloxacin , C17H20F2N3O3·2H2O ·0.95Cl
91.203(3) β [°] Nadifloxacin , C19H21FN2O4·0.5H2O
87.712(9) β [°] Norfloxacin , C16H18FN3O3
110.692(1) β [°] Norfloxacin , C16H18FN3O3·2H2O
104.76(3) β [°] Ofloxacin , C18H20FN3O4
90 γ [°] Enoxacin , C15H17FN4O3·1.7H2O
90 γ [°] Lomefloxacin , C17H20F2N3O3·2H2O ·0.95Cl
90 γ [°] Nadifloxacin , C19H21FN2O4·0.5H2O
79.626(7) γ [°] Norfloxacin , C16H18FN3O3
90 γ [°] Norfloxacin , C16H18FN3O3·2H2O
90 γ [°] Ofloxacin , C18H20FN3O4
3127.5(4) V/Å3 Enoxacin , C15H17FN4O3·1.7H2O
1949.0(7) V/Å3 Lomefloxacin , C17H20F2N3O3·2H2O ·0.95Cl
3451.7(3) V/Å3 Nadifloxacin , C19H21FN2O4·0.5H2O
712.34(18) V/Å3 Norfloxacin , C16H18FN3O3
1592.0(2) V/Å3 Norfloxacin , C16H18FN3O3·2H2O
3264.4(12) V/Å3 Ofloxacin , C18H20FN3O4
1.492 Density [g cm−3] Enoxacin , C15H17FN4O3·1.7H2O
1.439 Density [g cm−3] Lomefloxacin , C17H20F2N3O3·2H2O ·0.95Cl
1.422 Density [g cm−3] Nadifloxacin , C19H21FN2O4·0.5H2O
1.489 Density [g cm−3] Norfloxacin , C16H18FN3O3
1.483 Density [g cm−3] Norfloxacin , C16H18FN3O3·2H2O
1.471 Density [g cm−3] Ofloxacin , C18H20FN3O4
0.120 μ [/mm] Enoxacin , C15H17FN4O3·1.7H2O
0.249 μ [/mm] Lomefloxacin , C17H20F2N3O3·2H2O ·0.95Cl
0.912 μ [/mm] Nadifloxacin , C19H21FN2O4·0.5H2O
0.949 μ [/mm] Norfloxacin , C16H18FN3O3
0.118 μ [/mm] Norfloxacin , C16H18FN3O3·2H2O
0.069 μ [/mm] Ofloxacin , C18H20FN3O4
1481 F(000) Enoxacin , C15H17FN4O3·1.7H2O
885 F(000) Lomefloxacin , C17H20F2N3O3·2H2O ·0.95Cl
1560 F(000) Nadifloxacin , C19H21FN2O4·0.5H2O
336 F(000) Norfloxacin , C16H18FN3O3
752 F(000) Norfloxacin , C16H18FN3O3·2H2O
1520 F(000) Ofloxacin , C18H20FN3O4
0.08 × 0.11 × 0.21 Crystal size/mm Enoxacin , C15H17FN4O3·1.7H2O
0.01 × 0.01 × 0.05 Crystal size/mm Lomefloxacin , C17H20F2N3O3·2H2O ·0.95Cl
0.05 × 0.07 × 0.12 Crystal size/mm Nadifloxacin , C19H21FN2O4·0.5H2O
0.04 × 0.04 × 0.10 Crystal size/mm Norfloxacin , C16H18FN3O3
0.05 × 0.05 × 0.20 Crystal size/mm Norfloxacin , C16H18FN3O3·2H2O
0.17 × 0.19 × 0.20 Crystal size/mm Ofloxacin , C18H20FN3O4
NoValue Data collection Enoxacin , C15H17FN4O3·1.7H2O
NoValue Data collection Lomefloxacin , C17H20F2N3O3·2H2O ·0.95Cl
NoValue Data collection Nadifloxacin , C19H21FN2O4·0.5H2O
NoValue Data collection Norfloxacin , C16H18FN3O3
NoValue Data collection Norfloxacin , C16H18FN3O3·2H2O
NoValue Data collection Ofloxacin , C18H20FN3O4
100 T/K Enoxacin , C15H17FN4O3·1.7H2O
100 T/K Lomefloxacin , C17H20F2N3O3·2H2O ·0.95Cl
100 T/K Nadifloxacin , C19H21FN2O4·0.5H2O
100 T/K Norfloxacin , C16H18FN3O3
100 T/K Norfloxacin , C16H18FN3O3·2H2O
100 T/K Ofloxacin , C18H20FN3O4
Mo-Kα, 0.7107 Radiation type, λ/Å Enoxacin , C15H17FN4O3·1.7H2O
Synchrotron, 0.8000 Radiation type, λ/Å Lomefloxacin , C17H20F2N3O3·2H2O ·0.95Cl
Cu-Kα, 1.5418 Radiation type, λ/Å Nadifloxacin , C19H21FN2O4·0.5H2O
Cu-Kα, 1.5418 Radiation type, λ/Å Norfloxacin , C16H18FN3O3
Mo-Kα, 0.7107 Radiation type, λ/Å Norfloxacin , C16H18FN3O3·2H2O
Ag-Kα, 0.5608 Radiation type, λ/Å Ofloxacin , C18H20FN3O4
1.5, 46.5 θmin, θmax [°] Enoxacin , C15H17FN4O3·1.7H2O
2.3, 25.8 θmin, θmax [°] Lomefloxacin , C17H20F2N3O3·2H2O ·0.95Cl
3.5, 71.7 θmin, θmax [°] Nadifloxacin , C19H21FN2O4·0.5H2O
2.5, 67.3 θmin, θmax [°] Norfloxacin , C16H18FN3O3
1.9, 33.3 θmin, θmax [°] Norfloxacin , C16H18FN3O3·2H2O
1.1, 26.0 θmin, θmax [°] Ofloxacin , C18H20FN3O4
1.02 (sinθ/λ)max [Å−1] Enoxacin , C15H17FN4O3·1.7H2O
0.54 (sinθ/λ)max [Å−1] Lomefloxacin , C17H20F2N3O3·2H2O ·0.95Cl
0.62 (sinθ/λ)max [Å−1] Nadifloxacin , C19H21FN2O4·0.5H2O
0.60 (sinθ/λ)max [Å−1] Norfloxacin , C16H18FN3O3
0.77 (sinθ/λ)max [Å−1] Norfloxacin , C16H18FN3O3·2H2O
0.78 (sinθ/λ)max [Å−1] Ofloxacin , C18H20FN3O4
493757, 27877 Tot., Uniq. reflections Enoxacin , C15H17FN4O3·1.7H2O
18001, 2299 Tot., Uniq. reflections Lomefloxacin , C17H20F2N3O3·2H2O ·0.95Cl
61505, 6659 Tot., Uniq. reflections Nadifloxacin , C19H21FN2O4·0.5H2O
16718, 2479 Tot., Uniq. reflections Norfloxacin , C16H18FN3O3
32868, 6042 Tot., Uniq. reflections Norfloxacin , C16H18FN3O3·2H2O
84774, 6517 Tot., Uniq. reflections Ofloxacin , C18H20FN3O4
17859 Observed refl. [I > 3σ (I)] Enoxacin , C15H17FN4O3·1.7H2O
2141 Observed refl. [I > 3σ (I)] Lomefloxacin , C17H20F2N3O3·2H2O ·0.95Cl
4901 Observed refl. [I > 3σ (I)] Nadifloxacin , C19H21FN2O4·0.5H2O
1990 Observed refl. [I > 3σ (I)] Norfloxacin , C16H18FN3O3
4059 Observed refl. [I > 3σ (I)] Norfloxacin , C16H18FN3O3·2H2O
4908 Observed refl. [I > 3σ (I)] Ofloxacin , C18H20FN3O4
99.8 Overall completeness [%] Enoxacin , C15H17FN4O3·1.7H2O
87.4 Overall completeness [%] Lomefloxacin , C17H20F2N3O3·2H2O ·0.95Cl
98.6 Overall completeness [%] Nadifloxacin , C19H21FN2O4·0.5H2O
96.3 Overall completeness [%] Norfloxacin , C16H18FN3O3
98.6 Overall completeness [%] Norfloxacin , C16H18FN3O3·2H2O
99.8 Overall completeness [%] Ofloxacin , C18H20FN3O4
17.38 Redundancy Enoxacin , C15H17FN4O3·1.7H2O
6.69 Redundancy Lomefloxacin , C17H20F2N3O3·2H2O ·0.95Cl
8.99 Redundancy Nadifloxacin , C19H21FN2O4·0.5H2O
6.21 Redundancy Norfloxacin , C16H18FN3O3
5.32 Redundancy Norfloxacin , C16H18FN3O3·2H2O
12.27 Redundancy Ofloxacin , C18H20FN3O4
0.042 Rint Enoxacin , C15H17FN4O3·1.7H2O
0.086 Rint Lomefloxacin , C17H20F2N3O3·2H2O ·0.95Cl
0.033 Rint Nadifloxacin , C19H21FN2O4·0.5H2O
0.075 Rint Norfloxacin , C16H18FN3O3
0.037 Rint Norfloxacin , C16H18FN3O3·2H2O
0.054 Rint Ofloxacin , C18H20FN3O4
17859, 602 Nref, Npar Enoxacin , C15H17FN4O3·1.7H2O
2141, 243 Nref, Npar Lomefloxacin , C17H20F2N3O3·2H2O ·0.95Cl
4901, 478 Nref, Npar Nadifloxacin , C19H21FN2O4·0.5H2O
1990, 226 Nref, Npar Norfloxacin , C16H18FN3O3
4059, 292 Nref, Npar Norfloxacin , C16H18FN3O3·2H2O
4908, 255 Nref, Npar Ofloxacin , C18H20FN3O4
0.0273, 0.0172 R,wR Enoxacin , C15H17FN4O3·1.7H2O
0.0703, 0.1056 R,wR Lomefloxacin , C17H20F2N3O3·2H2O ·0.95Cl
0.0484, 0.0557 R,wR Nadifloxacin , C19H21FN2O4·0.5H2O
0.1155, 0.1918 R,wR Norfloxacin , C16H18FN3O3
0.0311, 0.0261 R,wR Norfloxacin , C16H18FN3O3·2H2O
0.0346, 0.0344 R,wR Ofloxacin , C18H20FN3O4
2.78 S Enoxacin , C15H17FN4O3·1.7H2O
3.91 S Lomefloxacin , C17H20F2N3O3·2H2O ·0.95Cl
3.09 S Nadifloxacin , C19H21FN2O4·0.5H2O
1.59 S Norfloxacin , C16H18FN3O3
2.18 S Norfloxacin , C16H18FN3O3·2H2O
2.73 S Ofloxacin , C18H20FN3O4
−0.27, 0.38 Δρmin, Δρmax [e Å−3] Enoxacin , C15H17FN4O3·1.7H2O
−0.44, 0.31 Δρmin, Δρmax [e Å−3] Lomefloxacin , C17H20F2N3O3·2H2O ·0.95Cl
−0.25, 1.03 Δρmin, Δρmax [e Å−3] Nadifloxacin , C19H21FN2O4·0.5H2O
−0.50, 0.89 Δρmin, Δρmax [e Å−3] Norfloxacin , C16H18FN3O3
−0.22, 0.29 Δρmin, Δρmax [e Å−3] Norfloxacin , C16H18FN3O3·2H2O
−0.29, 0.43 Δρmin, Δρmax [e Å−3] Ofloxacin , C18H20FN3O4
Data Row Categories Column Categories
0 Politzer Analysis , Formal Charge Distribution Uncharged structures , nadi , 0.5H2O
0 Politzer Analysis , Formal Charge Distribution Uncharged structures , nor , —
0 Politzer Analysis , Formal Charge Distribution Uncharged structures , oflox , —
+ Politzer Analysis , Formal Charge Distribution Uncharged structures , cipro , HCl
+ Politzer Analysis , Formal Charge Distribution Cationic structures , flero , H2O HCl
+ Politzer Analysis , Formal Charge Distribution Cationic structures , lome , 4 H2O HCl
+ Politzer Analysis , Formal Charge Distribution Cationic structures , moxi , HCl 0.5 H2O 0.5 CH3OH
+− Politzer Analysis , Formal Charge Distribution Cationic structures , cipro , 6 H2O
+− Politzer Analysis , Formal Charge Distribution Zwitterionic structures , eno , 3.4 H2O
+− Politzer Analysis , Formal Charge Distribution Zwitterionic structures , eno , 3 H2O
+− Politzer Analysis , Formal Charge Distribution Zwitterionic structures , nor , 2 H2O
+− Politzer Analysis , Formal Charge Distribution Zwitterionic structures , spar , 3 H2O
0.069 Politzer Analysis , +S[e Å−1] Uncharged structures , nadi , 0.5H2O
0.073 Politzer Analysis , +S[e Å−1] Uncharged structures , nor , —
0.057 Politzer Analysis , +S[e Å−1] Uncharged structures , oflox , —
0.087 Politzer Analysis , +S[e Å−1] Uncharged structures , cipro , HCl
0.083 Politzer Analysis , +S[e Å−1] Cationic structures , flero , H2O HCl
0.083 Politzer Analysis , +S[e Å−1] Cationic structures , lome , 4 H2O HCl
0.072 Politzer Analysis , +S[e Å−1] Cationic structures , moxi , HCl 0.5 H2O 0.5 CH3OH
0.132 Politzer Analysis , +S[e Å−1] Cationic structures , cipro , 6 H2O
0.121 Politzer Analysis , +S[e Å−1] Zwitterionic structures , eno , 3.4 H2O
0.127 Politzer Analysis , +S[e Å−1] Zwitterionic structures , eno , 3 H2O
0.136 Politzer Analysis , +S[e Å−1] Zwitterionic structures , nor , 2 H2O
0.105 Politzer Analysis , +S[e Å−1] Zwitterionic structures , spar , 3 H2O
−0.060 Politzer Analysis , −S[e Å−1] Uncharged structures , nadi , 0.5H2O
−0.060 Politzer Analysis , −S[e Å−1] Uncharged structures , nor , —
−0.059 Politzer Analysis , −S[e Å−1] Uncharged structures , oflox , —
−0.084 Politzer Analysis , −S[e Å−1] Uncharged structures , cipro , HCl
−0.076 Politzer Analysis , −S[e Å−1] Cationic structures , flero , H2O HCl
−0.076 Politzer Analysis , −S[e Å−1] Cationic structures , lome , 4 H2O HCl
−0.074 Politzer Analysis , −S[e Å−1] Cationic structures , moxi , HCl 0.5 H2O 0.5 CH3OH
−0.138 Politzer Analysis , −S[e Å−1] Cationic structures , cipro , 6 H2O
−0.131 Politzer Analysis , −S[e Å−1] Zwitterionic structures , eno , 3.4 H2O
−0.136 Politzer Analysis , −S[e Å−1] Zwitterionic structures , eno , 3 H2O
−0.138 Politzer Analysis , −S[e Å−1] Zwitterionic structures , nor , 2 H2O
−0.126 Politzer Analysis , −S[e Å−1] Zwitterionic structures , spar , 3 H2O
0.064 Politzer Analysis , Π[e Å−1] Uncharged structures , nadi , 0.5H2O
0.067 Politzer Analysis , Π[e Å−1] Uncharged structures , nor , —
0.058 Politzer Analysis , Π[e Å−1] Uncharged structures , oflox , —
0.085 Politzer Analysis , Π[e Å−1] Uncharged structures , cipro , HCl
0.080 Politzer Analysis , Π[e Å−1] Cationic structures , flero , H2O HCl
0.079 Politzer Analysis , Π[e Å−1] Cationic structures , lome , 4 H2O HCl
0.073 Politzer Analysis , Π[e Å−1] Cationic structures , moxi , HCl 0.5 H2O 0.5 CH3OH
0.135 Politzer Analysis , Π[e Å−1] Cationic structures , cipro , 6 H2O
0.125 Politzer Analysis , Π[e Å−1] Zwitterionic structures , eno , 3.4 H2O
0.130 Politzer Analysis , Π[e Å−1] Zwitterionic structures , eno , 3 H2O
0.137 Politzer Analysis , Π[e Å−1] Zwitterionic structures , nor , 2 H2O
0.114 Politzer Analysis , Π[e Å−1] Zwitterionic structures , spar , 3 H2O
0.011 Politzer Analysis , σ2tot[e2 Å−2] Uncharged structures , nadi , 0.5H2O
0.012 Politzer Analysis , σ2tot[e2 Å−2] Uncharged structures , nor , —
0.009 Politzer Analysis , σ2tot[e2 Å−2] Uncharged structures , oflox , —
0.022 Politzer Analysis , σ2tot[e2 Å−2] Uncharged structures , cipro , HCl
0.017 Politzer Analysis , σ2tot[e2 Å−2] Cationic structures , flero , H2O HCl
0.020 Politzer Analysis , σ2tot[e2 Å−2] Cationic structures , lome , 4 H2O HCl
0.017 Politzer Analysis , σ2tot[e2 Å−2] Cationic structures , moxi , HCl 0.5 H2O 0.5 CH3OH
0.053 Politzer Analysis , σ2tot[e2 Å−2] Cationic structures , cipro , 6 H2O
0.049 Politzer Analysis , σ2tot[e2 Å−2] Zwitterionic structures , eno , 3.4 H2O
0.052 Politzer Analysis , σ2tot[e2 Å−2] Zwitterionic structures , eno , 3 H2O
0.053 Politzer Analysis , σ2tot[e2 Å−2] Zwitterionic structures , nor , 2 H2O
0.043 Politzer Analysis , σ2tot[e2 Å−2] Zwitterionic structures , spar , 3 H2O
Data Row Categories Column Categories
0 Dipole moment , Formal Charge Distribution Uncharged structures , nadi , 0.5 H2O
0 Dipole moment , Formal Charge Distribution Uncharged structures , nor , —
0 Dipole moment , Formal Charge Distribution Uncharged structures , oflox , —
+ Dipole moment , Formal Charge Distribution Uncharged structures , cipro , HCl
+ Dipole moment , Formal Charge Distribution Cationic structures , flero , H2O HCl
+ Dipole moment , Formal Charge Distribution Cationic structures , lome , 2 H2O HCl
+ Dipole moment , Formal Charge Distribution Cationic structures , moxi , 0.5 H2O HCl CH3OH
+− Dipole moment , Formal Charge Distribution Cationic structures , cipro , 6 H2O
+− Dipole moment , Formal Charge Distribution Zwitterionic structures , eno , 1.72 H2O
+− Dipole moment , Formal Charge Distribution Zwitterionic structures , eno , 3 H2O
+− Dipole moment , Formal Charge Distribution Zwitterionic structures , nor , 2 H2O
+− Dipole moment , Formal Charge Distribution Zwitterionic structures , spar , 3 H2O
13.9 Dipole moment , Invariom Uncharged structures , nadi , 0.5 H2O
13.8 Dipole moment , Invariom Uncharged structures , nor , —
13.4 Dipole moment , Invariom Uncharged structures , oflox , —
24.1 Dipole moment , Invariom Uncharged structures , cipro , HCl
22.4 Dipole moment , Invariom Cationic structures , flero , H2O HCl
23.4 Dipole moment , Invariom Cationic structures , lome , 2 H2O HCl
24.0 Dipole moment , Invariom Cationic structures , moxi , 0.5 H2O HCl CH3OH
39.4 Dipole moment , Invariom Cationic structures , cipro , 6 H2O
37.5 Dipole moment , Invariom Zwitterionic structures , eno , 1.72 H2O
37.6 Dipole moment , Invariom Zwitterionic structures , eno , 3 H2O
38.4 Dipole moment , Invariom Zwitterionic structures , nor , 2 H2O
37.4 Dipole moment , Invariom Zwitterionic structures , spar , 3 H2O
10.3 Dipole moment , Single Point (SP) Calculation Uncharged structures , nadi , 0.5 H2O
11.0 Dipole moment , Single Point (SP) Calculation Uncharged structures , nor , —
10.8 Dipole moment , Single Point (SP) Calculation