Information card for entry 7239890

Structure parameters

• Common name: 4-bromobenzaldehyde (cyanoacetyl)hydrazone
• Chemical name: 2-cyano-N'-[(1E)-(4-bromophenyl)methylidene]acetohydrazide
• Formula: C10 H8 Br N3 O
• Calculated formula: C10 H8 Br N3 O
• Title of publication: Hydrazone-aromatic interaction: the vital role in molecular self-assembly of benzaldehyde hydrazones
• Authors of publication: Zhang, Zhenfeng; Chen, Dejun
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 4.6341 ± 0.0001 Å
• b: 10.7786 ± 0.0003 Å
• c: 21.0532 ± 0.0008 Å
• α: 90°
• β: 93.975 ± 0.003°
• γ: 90°
• Cell volume: 1049.06 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0562
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No