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Information card for entry 4508172
Preview
Coordinates | 4508172.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H13 Cl N2 O2 S |
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Calculated formula | C13 H13 Cl N2 O2 S |
SMILES | S(=O)(=O)(Nc1ccc(c(Cl)c1)C)c1ccc(N)cc1 |
Title of publication | Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks |
Authors of publication | Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.; Raevsky, Oleg A. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2013 |
Journal volume | 13 |
Journal issue | 9 |
Pages of publication | 4002 |
a | 15.387 ± 0.003 Å |
b | 6.2734 ± 0.0013 Å |
c | 27.363 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2641.3 ± 0.9 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 6 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0482 |
Residual factor for significantly intense reflections | 0.0386 |
Weighted residual factors for significantly intense reflections | 0.0987 |
Weighted residual factors for all reflections included in the refinement | 0.1022 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4508172.html
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