Information card for entry 2239085

Structure parameters

• Chemical name: 1-(6-Chloro-1-methyl-1<i>H</i>-imidazo[4,5-<i>c</i>]pyridin-4-yl)-3-(2-chlorophenyl)urea
• Formula: C14 H11 Cl2 N5 O
• Calculated formula: C14 H11 Cl2 N5 O
• SMILES: O=C(Nc1nc(Cl)cc2c1ncn2C)Nc1ccccc1Cl
• Title of publication: 1-(6-Chloro-1-methyl-1<i>H</i>-imidazo[4,5-<i>c</i>]pyridin-4-yl)-3-(2-chlorophenyl)urea
• Authors of publication: Devaru, Venkatesh B.; Vinduvahini, M.; Madaiah, M.; Revanasiddappa, H. D.; Devarajegowda, H. C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: o155 - o156
• a: 8.9368 ± 0.0003 Å
• b: 17.2369 ± 0.0004 Å
• c: 10.3805 ± 0.0003 Å
• α: 90°
• β: 114.216 ± 0.004°
• γ: 90°
• Cell volume: 1458.33 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0475
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes