Information card for entry 8100560

Structure parameters

• Formula: C20 H15 Br N2 O3 S
• Calculated formula: C20 H15 Br N2 O3 S
• SMILES: S(=O)(=O)(/C(=N\Nc1ccc(Br)cc1)C(=O)c1ccccc1)c1ccccc1
• Title of publication: Crystal structure of benzoyl(4-chlorophenylhydrazono)methyl phenyl sulfone, C~20~H~15~ClN~2~O~3~S, and benzoyl(4-bromophenylhydrazono) methyl phenyl sulfone, C~20~H~15~BrN~2~O~3~S, two isomorphous β-ketosulfones
• Authors of publication: Wolf, Wojciech M.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 1
• Pages of publication: 115 - 117
• a: 11.412 ± 0.002 Å
• b: 18.994 ± 0.003 Å
• c: 9.1 ± 0.002 Å
• α: 90°
• β: 107.85 ± 0.02°
• γ: 90°
• Cell volume: 1877.6 ± 0.6 ų
• 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/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No