Information card for entry 2242819

Structure parameters

• Common name: (<i>E</i>)-<i>N</i>'-(2-Bromobenzylidene)-4-methylbenzohydrazide
• Chemical name: (<i>E</i>)-4-Methyl-<i>N</i>'-(2-bromobenzylidene)benzohydrazide
• Formula: C15 H13 Br N2 O
• Calculated formula: C15 H13 Br N2 O
• SMILES: Brc1c(/C=N/NC(=O)c2ccc(cc2)C)cccc1
• Title of publication: Synthesis, X-ray crystal structure, Hirshfeld surface analysis and DFT studies of (<i>E</i>)-<i>N</i>'-(2-bromobenzylidene)-4-methylbenzohydrazide
• Authors of publication: Anitha, Azhagan Ganapathi; Arunagiri, Chidambaram; Subashini, Annamalai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 2
• Pages of publication: 109 - 114
• a: 9.6002 ± 0.001 Å
• b: 11.5584 ± 0.0013 Å
• c: 12.5823 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1396.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No