Information card for entry 2211705

Structure parameters

• Chemical name: 2,3-Diphenyl-6,7-dihydro-5H-1,4-diazepine
• Formula: C17 H16 N2
• Calculated formula: C17 H16 N2
• SMILES: N1=C(C(=NCCC1)c1ccccc1)c1ccccc1
• Title of publication: 2,3-Diphenyl-6,7-dihydro-5<i>H</i>-1,4-diazepine
• Authors of publication: Yang, Shu-Ping; Han, Li-Jun; Wang, Da-Qi; Ding, Tie-Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o188 - o190
• a: 8.708 ± 0.002 Å
• b: 17.649 ± 0.003 Å
• c: 9.171 ± 0.002 Å
• α: 90°
• β: 105.115 ± 0.002°
• γ: 90°
• Cell volume: 1360.7 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0689
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1402
• 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