Information card for entry 7054410

Structure parameters

• 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
• 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 ų
• 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
• Duplicate of: 7054153
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No