Information card for entry 2201937

Structure parameters

• Chemical name: 3-Indolylformaldehyde isonicotinoylhydrazone monomethanol
• Formula: C16 H16 N4 O2
• Calculated formula: C16 H16 N4 O2
• SMILES: c1cnccc1C(=O)N/N=C/c1c[nH]c2ccccc12.OC
• Title of publication: 3-Indolylformaldehyde isonicotinoylhydrazone methanol solvate
• Authors of publication: Xi-Shi Tai; Xian-Hong Yin; Min-Yu Tan; Yi-Zhi Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: o681 - o682
• a: 10.52 ± 0.002 Å
• b: 14.02 ± 0.003 Å
• c: 11.146 ± 0.003 Å
• α: 90°
• β: 115.02 ± 0.01°
• γ: 90°
• Cell volume: 1489.7 ± 0.6 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: 0.0591
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes