Information card for entry 2203317

Structure parameters

• Formula: C16 H10 N4
• Calculated formula: C16 H10 N4
• SMILES: C(#N)C(C#N)=C1N(c2ccccc2)c2ccccc2N1
• Title of publication: (1-Phenyl-2,3-dihydro-1<i>H</i>-benzimidazol-2-ylidene)malonodinitrile
• Authors of publication: Yin-Xiang Lu; Peng Guo; Yong-zhi Cai; Wei Xu; Lin-Hong Weng; Yong-Ming Huang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: o431 - o432
• a: 10.377 ± 0.003 Å
• b: 17.876 ± 0.005 Å
• c: 7.226 ± 0.002 Å
• α: 90°
• β: 106.235 ± 0.004°
• γ: 90°
• Cell volume: 1287 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0948
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes