Information card for entry 2008693

Structure parameters

• Chemical name: 4-(4-methylphenyl)-3-phenyl-4H-1,2,4-triazole
• Formula: C15 H13 N3
• Calculated formula: C15 H13 N3
• Title of publication: 4-(4-Methylphenyl)-3-phenyl-4<i>H</i>-1,2,4-triazole
• Authors of publication: Kandasamy Chinnakali; Hoong-Kun Fun; Annamalai Senthilvelan; Kamaraj Sriraghavan; Vayalakkavoor T. Ramakrishnan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 1136 - 1138
• a: 9.2544 ± 0.0001 Å
• b: 14.5543 ± 0.0004 Å
• c: 9.6994 ± 0.0002 Å
• α: 90°
• β: 105.435 ± 0.001°
• γ: 90°
• Cell volume: 1259.31 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No