Information card for entry 2214921

Structure parameters

• Chemical name: Ethyl 2-methyl-1-(4-phenylthiazol-2-yl)-1H-benzimidazole-6-carboxylate
• Formula: C20 H17 N3 O2 S
• Calculated formula: C20 H17 N3 O2 S
• SMILES: s1c(n2c(C)nc3ccc(cc23)C(=O)OCC)nc(c1)c1ccccc1
• Title of publication: Ethyl 2-methyl-1-(4-phenylthiazol-2-yl)-1<i>H</i>-benzimidazole-6-carboxylate
• Authors of publication: Li-Min He; Ai-Xi Hu; Gao Cao; Jun-Jun Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3643 - o3643
• a: 7.422 ± 0.0004 Å
• b: 10.2999 ± 0.0006 Å
• c: 12.9328 ± 0.0007 Å
• α: 109.85 ± 0.001°
• β: 100.866 ± 0.001°
• γ: 101.95 ± 0.001°
• Cell volume: 873.04 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes