Information card for entry 2223725

Structure parameters

• Chemical name: 2-Bromo-<i>N</i>'-[(2<i>Z</i>)-butan-2-ylidene]-5-methoxybenzohydrazide
• Formula: C12 H15 Br N2 O2
• Calculated formula: C12 H15 Br N2 O2
• SMILES: Brc1ccc(OC)cc1C(=O)N/N=C(C)/CC
• Title of publication: 2-Bromo-<i>N</i>'-[(2<i>Z</i>)-butan-2-ylidene]-5-methoxybenzohydrazide
• Authors of publication: Jasinski, Jerry P.; Butcher, Ray J.; Suchitra, L. P.; Yathirajan, H. S.; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2968 - o2969
• a: 8.0942 ± 0.0001 Å
• b: 14.2475 ± 0.0002 Å
• c: 11.2974 ± 0.0002 Å
• α: 90°
• β: 91.1519 ± 0.0013°
• γ: 90°
• Cell volume: 1302.58 ± 0.03 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0456
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes