Information card for entry 2219013

Structure parameters

• Chemical name: 2-Methylbenzaldehyde 2-methylbenzylidenehydrazone
• Formula: C16 H16 N2
• Calculated formula: C16 H16 N2
• SMILES: Cc1ccccc1/C=N/N=C/c1ccccc1C
• Title of publication: 2-Methylbenzaldehyde 2-methylbenzylidenehydrazone
• Authors of publication: Shan, Shang; Wang, Wen-Long; Xie, Pei-Jin; Xu, Ying-Li; Wang, Shan-Heng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1386
• a: 6.1578 ± 0.0011 Å
• b: 13.248 ± 0.002 Å
• c: 8.8161 ± 0.0016 Å
• α: 90°
• β: 105.398 ± 0.012°
• γ: 90°
• Cell volume: 693.4 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• 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: 0.0499
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes