Information card for entry 2222809

Structure parameters

• Chemical name: <i>N</i>'-(4-Bromophenylsulfonyl)isonicotinohydrazide
• Formula: C12 H10 Br N3 O3 S
• Calculated formula: C12 H10 Br N3 O3 S
• SMILES: Brc1ccc(cc1)S(=O)(=O)NNC(=O)c1ccncc1
• Title of publication: <i>N</i>'-(4-Bromophenylsulfonyl)isonicotinohydrazide
• Authors of publication: Khan, Islam Ullah; Ashfaq, Muhammad; Arshad, Muhammad Nadeem; Ahmad, Hamad; Mustafa, Ghulam
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1991
• a: 10.1229 ± 0.0006 Å
• b: 19.044 ± 0.0012 Å
• c: 15.064 ± 0.0007 Å
• α: 90°
• β: 96.862 ± 0.002°
• γ: 90°
• Cell volume: 2883.2 ± 0.3 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: 0.126
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes