Information card for entry 7240323

Structure parameters

• Common name: benzaldehyde (cyanoacetyl)hydrazone
• Chemical name: 2-cyano-N'-[(1E)-phenylmethylidene]acetohydrazide
• Formula: C10 H9 N3 O
• Calculated formula: C10 H9 N3 O
• Title of publication: An X-shaped cyano-carbonyl interaction on the polar surface of (cyanoacetyl)hydrazones
• Authors of publication: Zhang, Zhenfeng
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 12.2 ± 0.005 Å
• b: 9.143 ± 0.004 Å
• c: 8.797 ± 0.004 Å
• α: 90°
• β: 102.02 ± 0.008°
• γ: 90°
• Cell volume: 959.7 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0856
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No