Information card for entry 7239888

Structure parameters

• Common name: 4-methylbenzaldehyde (cyanoacetyl)hydrazone
• Chemical name: 2-cyano-N'-[(1E)-(4-methylphenyl)methylidene]acetohydrazide
• Formula: C11 H11 N3 O
• Calculated formula: C11 H11 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: 4.5912 ± 0.0004 Å
• b: 10.6146 ± 0.0007 Å
• c: 21.6437 ± 0.0017 Å
• α: 90°
• β: 94.49 ± 0.008°
• γ: 90°
• Cell volume: 1051.54 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0665
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No