Information card for entry 2216531

Structure parameters

• Chemical name: 2-Benzoyl-1-benzylmethyl-3-phenylguanidine
• Formula: C22 H21 N3 O
• Calculated formula: C22 H21 N3 O
• SMILES: O=C(/N=C(Nc1ccccc1)/N(Cc1ccccc1)C)c1ccccc1
• Title of publication: 2-Benzoyl-1-benzylmethyl-3-phenylguanidine
• Authors of publication: Murtaza, Ghulam; Said, Muhammad; Rauf, M. Khawar; Ebihara, Masahiro; Badshah, Amin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4664 - o4664
• a: 12.887 ± 0.006 Å
• b: 9.298 ± 0.004 Å
• c: 18.286 ± 0.006 Å
• α: 90°
• β: 123.534 ± 0.005°
• γ: 90°
• Cell volume: 1826.4 ± 1.3 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: 0.0662
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes