Information card for entry 2011235

Structure parameters

• Chemical name: p-Methoxybenzaldehyde Benzoylhydrazone Monohydrate
• Formula: C15 H16 N2 O3
• Calculated formula: C15 H16 N2 O3
• SMILES: O(C)c1ccc(cc1)/C=N/NC(=O)c1ccccc1.O
• Title of publication: <i>p</i>-Methoxybenzaldehyde benzoylhydrazone monohydrate
• Authors of publication: Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Lu, Zhong-Lin; Xiao, Wen; Gong, Xiao-Yang; Gen, Chang-Ming
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 1013 - 1014
• a: 11.9398 ± 0.0006 Å
• b: 11.8595 ± 0.0006 Å
• c: 11.3972 ± 0.0006 Å
• α: 90°
• β: 116.389 ± 0.001°
• γ: 90°
• Cell volume: 1445.68 ± 0.13 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: 0.0992
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes