Information card for entry 7239056

Structure parameters

• Formula: C18 H21 N3 O2 S
• Calculated formula: C18 H21 N3 O2 S
• Title of publication: A concise synthesis of 2-(2-aminothiophene)-benzimidazoles by one-pot multicomponent reaction
• Authors of publication: Chen, Li-Hsun; Chuang, Ying-Sheng; Narhe, Bharat D.; Sun, Chung-Ming
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 33
• Pages of publication: 13934
• a: 8.8513 ± 0.0005 Å
• b: 16.517 ± 0.0009 Å
• c: 11.4378 ± 0.0006 Å
• α: 90°
• β: 94.84 ± 0.001°
• γ: 90°
• Cell volume: 1666.21 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No