Information card for entry 2311813

Structure parameters

• Chemical name: 1-Benzoyl-2-(propan-2-ylidene)hydrazone
• Formula: C10 H12 N2 O
• Calculated formula: C10 H12 N2 O
• SMILES: O=C(NN=C(C)C)c1ccccc1
• Title of publication: Structural similarities among eight benzoylhydrazones.
• Authors of publication: Ton, Quoc Cuong; Bolte, Michael; Egert, Ernst
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2014
• Journal volume: 70
• Journal issue: Pt 9
• Pages of publication: 912 - 919
• a: 7.695 ± 0.0008 Å
• b: 17.129 ± 0.001 Å
• c: 7.8316 ± 0.0008 Å
• α: 90°
• β: 115.525 ± 0.008°
• γ: 90°
• Cell volume: 931.51 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0473
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No