Information card for entry 2220920

Structure parameters

• Chemical name: 2-Benzoyl-1,1-diethyl-3-phenylguanidine
• Formula: C18 H21 N3 O
• Calculated formula: C18 H21 N3 O
• SMILES: C(=N\C(=O)c1ccccc1)(N(CC)CC)\Nc1ccccc1
• Title of publication: 2-Benzoyl-1,1-diethyl-3-phenylguanidine
• Authors of publication: Murtaza, Ghulam; Hanif-Ur-Rehman; Khawar Rauf, M.; Ebihara, Masahiro; Badshah, Amin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o343
• a: 10.472 ± 0.006 Å
• b: 15.01 ± 0.008 Å
• c: 10.154 ± 0.006 Å
• α: 90°
• β: 102.992 ± 0.006°
• γ: 90°
• Cell volume: 1555.2 ± 1.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.271
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes