Information card for entry 2223643

Structure parameters

• Chemical name: <i>c</i>-3,<i>t</i>-3-Dimethyl-<i>r</i>-2,<i>c</i>-7-diphenyl-1,4-diazepan-5-one
• Formula: C19 H22 N2 O
• Calculated formula: C19 H22 N2 O
• SMILES: O=C1NC([C@@H](N[C@@H](C1)c1ccccc1)c1ccccc1)(C)C.O=C1NC([C@H](N[C@H](C1)c1ccccc1)c1ccccc1)(C)C
• Title of publication: <i>c</i>-3,<i>t</i>-3-Dimethyl-<i>r</i>-2,<i>c</i>-7-diphenyl-1,4-diazepan-5-one
• Authors of publication: Ravichandran, K.; Ramesh, P.; Sethuvasan, S.; Ponnuswamy, S.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2884
• a: 6.7354 ± 0.0004 Å
• b: 10.6867 ± 0.0006 Å
• c: 11.4186 ± 0.0007 Å
• α: 82.191 ± 0.003°
• β: 88.218 ± 0.004°
• γ: 80.317 ± 0.003°
• Cell volume: 802.65 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes