Information card for entry 2200193

Structure parameters

• Formula: C15 H17 N5 O
• Calculated formula: C15 H17 N5 O
• SMILES: O=C(NNc1ccccc1)NNc1ccccc1.N#CC
• Title of publication: Diphenylcarbazide acetonitrile solvate
• Authors of publication: Wang, Ying; Jian, Fangfang; Yang, Xujie; Lu, Lude; Wang, Xin; Fun, Hoong-Kun; Chantrapromma, Suchada; Razak, Ibrahim Abdul
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: o312 - o314
• a: 5.7818 ± 0.0002 Å
• b: 15.32 ± 0.001 Å
• c: 17.469 ± 0.001 Å
• α: 90°
• β: 97.476 ± 0.001°
• γ: 90°
• Cell volume: 1534.2 ± 0.14 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes