Information card for entry 2214859

Structure parameters

• Chemical name: 2-Bromo-N'-isopropylidene-5-methoxybenzohydrazide
• Formula: C11 H13 Br N2 O2
• Calculated formula: C11 H13 Br N2 O2
• SMILES: Brc1c(C(=O)NN=C(C)C)cc(OC)cc1
• Title of publication: 2-Bromo-<i>N</i>'-isopropylidene-5-methoxybenzohydrazide
• Authors of publication: Sarojini, B. K.; Yathirajan, H. S.; Sunil, K.; Narayana, B.; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3487 - o3487
• a: 7.8311 ± 0.0005 Å
• b: 13.646 ± 0.0007 Å
• c: 11.38 ± 0.0008 Å
• α: 90°
• β: 92.005 ± 0.005°
• γ: 90°
• Cell volume: 1215.36 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0484
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes