Information card for entry 2233038

Structure parameters

• Chemical name: 1-Prop-2-ynyl-1<i>H</i>-benzimidazol-2-amine
• Formula: C10 H9 N3
• Calculated formula: C10 H9 N3
• SMILES: n1(c(nc2c1cccc2)N)CC#C
• Title of publication: 1-Prop-2-ynyl-1<i>H</i>-benzimidazol-2-amine
• Authors of publication: Agarwal, Alka; Singh, Manavendra K.; Awasthi, Satish K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3213 - o3214
• a: 15.385 ± 0.002 Å
• b: 12.1433 ± 0.0012 Å
• c: 9.4653 ± 0.001 Å
• α: 90°
• β: 95.755 ± 0.011°
• γ: 90°
• Cell volume: 1759.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes