Information card for entry 2223399

Structure parameters

• Chemical name: <i>N</i>'-[(<i>E</i>)-(4-Bromo-2-thienyl)methylidene]benzohydrazide 0.06-hydrate
• Formula: C12 H9.12 Br N2 O1.06 S
• Calculated formula: C12 H9.125 Br N2 O1.0625 S
• Title of publication: <i>N</i>'-[(<i>E</i>)-(4-Bromo-2-thienyl)methylidene]benzohydrazide 0.06-hydrate
• Authors of publication: Shafiq, Zahid; Yaqub, Muhammad; Tahir, M. Nawaz; Hussain, Abid; Iqbal, M. Saeed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2501
• a: 8.8348 ± 0.0004 Å
• b: 18.3446 ± 0.001 Å
• c: 15.6788 ± 0.0006 Å
• α: 90°
• β: 90.274 ± 0.002°
• γ: 90°
• Cell volume: 2541 ± 0.2 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: 0.086
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes