Information card for entry 2223099

Structure parameters

• Chemical name: 2-Benzoyl-1-(2,4-dichlorophenyl)-3-phenylguanidine
• Formula: C20 H15 Cl2 N3 O
• Calculated formula: C20 H15 Cl2 N3 O
• SMILES: C(=O)(/N=C(Nc1c(cc(cc1)Cl)Cl)\Nc1ccccc1)c1ccccc1
• Title of publication: 2-Benzoyl-1-(2,4-dichlorophenyl)-3-phenylguanidine
• Authors of publication: Murtaza, Ghulam; Ebihara, Masahiro; Said, Muhammad; Khawar Rauf, M.; Anwar, Saeed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2297 - o2298
• a: 16.461 ± 0.006 Å
• b: 6.663 ± 0.002 Å
• c: 19.388 ± 0.006 Å
• α: 90°
• β: 124.072 ± 0.005°
• γ: 90°
• Cell volume: 1761.4 ± 1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.0473
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes