Information card for entry 2208999

Structure parameters

• Chemical name: Diphenylcarbonohydrazide phenylsemicarbazide
• Formula: C20 H23 N7 O2
• Calculated formula: C20 H23 N7 O2
• SMILES: O=C(NNc1ccccc1)N.O=C(NNc1ccccc1)NNc1ccccc1
• Title of publication: Diphenylcarbonohydrazide‒phenylsemicarbazide (1/1)
• Authors of publication: Wei, Chun-Xia; Chen, Jian-Xin; Li, Zhong-Shui; Lan, Ting-Yan; Huang, Yuan-Biao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1719 - o1721
• a: 14.0097 ± 0.0009 Å
• b: 5.8841 ± 0.0003 Å
• c: 24.3124 ± 0.0019 Å
• α: 90°
• β: 94.273 ± 0.003°
• γ: 90°
• Cell volume: 1998.6 ± 0.2 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: 0.1423
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No