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Information card for entry 7054153
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Coordinates | 7054153.cif |
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Original paper (by DOI) | HTML |
Common name | <i>N</i>'-[(1<i>E</i>,2<i>E</i>)-1-(4-bromophenyl)-3-(3,4-dimethoxyphenyl) prop-2-en-1-ylidene]benzenesulfonohydrazide |
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Chemical name | <i>N</i>'-[(1<i>E</i>,2<i>E</i>)-1-(4-bromophenyl)-3-(3,4-dimethoxyphenyl) prop-2-en-1-ylidene]benzenesulfonohydrazide |
Formula | C23 H21 Br N2 O4 S |
Calculated formula | C23 H21 Br N2 O4 S |
SMILES | Brc1ccc(cc1)/C(=N/NS(=O)(=O)c1ccccc1)/C=C/c1ccc(OC)c(OC)c1 |
Title of publication | Molecular packings and specific-bonding patterns in sulfonamides |
Authors of publication | Blatova, Olga A.; Asiri, Abdullah M.; Al-amshany, Zahra M.; Arshad, Muhammad Nadeem; Blatov, Vladislav A. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2014 |
Journal volume | 38 |
Journal issue | 9 |
Pages of publication | 4099 |
a | 8.3535 ± 0.0002 Å |
b | 15.3411 ± 0.0003 Å |
c | 17.7711 ± 0.0005 Å |
α | 90° |
β | 98.086 ± 0.002° |
γ | 90° |
Cell volume | 2254.76 ± 0.09 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0462 |
Residual factor for significantly intense reflections | 0.042 |
Weighted residual factors for significantly intense reflections | 0.1085 |
Weighted residual factors for all reflections included in the refinement | 0.1117 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7054153.html
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