Information card for entry 2243378

Structure parameters

• Chemical name: <i>N</i>-(4-Chlorophenyl)-5-cyclopropyl-1-(4-methoxyphenyl)-1<i>H</i>-1,2,3-triazole-4-carboxamide
• Formula: C19 H17 Cl N4 O2
• Calculated formula: C19 H17 Cl N4 O2
• SMILES: Clc1ccc(NC(=O)c2c(n(c3ccc(OC)cc3)nn2)C2CC2)cc1
• Title of publication: Synthesis, crystal structure and Hirshfeld surface analysis of <i>N</i>-(4-chlorophenyl)-5-cyclopropyl-1-(4-methoxyphenyl)-1<i>H</i>-1,2,3-triazole-4-carboxamide
• Authors of publication: Pokhodylo, Nazariy; Slyvka, Yurii; Pavlyuk, Volodymyr
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 5
• Pages of publication: 756 - 760
• a: 10.5673 ± 0.0004 Å
• b: 8.0182 ± 0.0003 Å
• c: 21.2318 ± 0.001 Å
• α: 90°
• β: 95.282 ± 0.004°
• γ: 90°
• Cell volume: 1791.35 ± 0.13 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1169
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.0534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes