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Information card for entry 2022496
Preview
Coordinates | 2022496.cif |
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Structure factors | 2022496.hkl |
Original IUCr paper | HTML |
Chemical name | 4-Chlorobenzenesulfonamide–4-nitropyridine <i>N</i>-oxide (1/1) |
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Formula | C11 H10 Cl N3 O5 S |
Calculated formula | C11 H10 Cl N3 O5 S |
Title of publication | A novel hydrogen-bonding <i>N</i>-oxide–sulfonamide–nitro N—H···O synthon determining the architecture of benzenesulfonamide cocrystals |
Authors of publication | Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Wojtulewski, SÅ‚awomir; Palusiak, Marcin |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2022 |
Journal volume | 78 |
Journal issue | 1 |
Pages of publication | 7 - 13 |
a | 7.392 ± 0.002 Å |
b | 11.2356 ± 0.0008 Å |
c | 16.674 ± 0.019 Å |
α | 90° |
β | 101.33 ± 0.05° |
γ | 90° |
Cell volume | 1357.8 ± 1.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1201 |
Residual factor for significantly intense reflections | 0.0884 |
Weighted residual factors for significantly intense reflections | 0.1707 |
Weighted residual factors for all reflections included in the refinement | 0.1826 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
271669 (current) | 2022-01-01 | cif/ hkl/ Adding structures of 2022495, 2022496 via cif-deposit CGI script. |
2022496.cif 2022496.hkl |
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