Information card for entry 8104600

Structure parameters

• Chemical name: (2E)-1-(diaminomethylidene)-2-[(4-methylphenyl)methylidene]hydrazin-1-ium 4-methylbenzoic acid
• Formula: C17 H20 N4 O2
• Calculated formula: C17 H20 N4 O2
• Title of publication: The crystal structure of (E)-amino(2-(4-methylbenzylidene)hydrazineyl)methaniminium 4-methylbenzoate, C9H13N4 + C8H7O2 −
• Authors of publication: Atioğlu, Zeliha; Kekeçmuhammed, Hüseyin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 6
• Pages of publication: 1333 - 1335
• a: 14.187 ± 0.015 Å
• b: 10.585 ± 0.011 Å
• c: 11.952 ± 0.013 Å
• α: 90°
• β: 113.851 ± 0.016°
• γ: 90°
• Cell volume: 1642 ± 3 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: 0.0728
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No