Information card for entry 2200228

Structure parameters

• Chemical name: Ethyl 7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylate
• Formula: C18 H15 Cl N2 O3
• Calculated formula: C18 H15 Cl N2 O3
• SMILES: Clc1cc2C(=NC(C(=O)Nc2cc1)C(=O)OCC)c1ccccc1
• Title of publication: Ethyl 7-chloro-2,3-dihydro-2-oxo-5-phenyl-1<i>H</i>-1,4-benzodiazepine-3-carboxylate
• Authors of publication: Višnjevac, Aleksandar; Kojić-Prodić, Biserka
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: o356 - o357
• a: 15.428 ± 0.001 Å
• b: 9.346 ± 0.002 Å
• c: 22.506 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3245.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.392
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.214
• Goodness-of-fit parameter for all reflections included in the refinement: 0.835
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No