Information card for entry 2216344

Structure parameters

• Chemical name: 1-(1H-Benzimidazol-2-yl)-3-(3-chlorophenyl)prop-2-en-1-one
• Formula: C16 H11 Cl N2 O
• Calculated formula: C16 H11 Cl N2 O
• SMILES: Clc1cccc(c1)/C=C/C(=O)c1[nH]c2ccccc2n1
• Title of publication: 1-(1<i>H</i>-Benzimidazol-2-yl)-3-(3-chlorophenyl)prop-2-en-1-one
• Authors of publication: Adohi-Krou, A.; Ouattara, M.; Zoro-Diama, E. G.; Akonan, L.; Aycard, J. P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4761 - o4761
• a: 9.629 ± 0.002 Å
• b: 5.617 ± 0.005 Å
• c: 24.657 ± 0.004 Å
• α: 90°
• β: 92.379 ± 0.009°
• γ: 90°
• Cell volume: 1332.5 ± 1.2 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.0603
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections: 0.1294
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0067
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes