Information card for entry 2243928

Structure parameters

• Chemical name: 5-Cyclopropyl-<i>N</i>-(2-hydroxyethyl)-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazole-4-carboxamide
• Formula: C15 H18 N4 O2
• Calculated formula: C15 H18 N4 O2
• SMILES: O=C(NCCO)c1nnn(c2ccc(cc2)C)c1C1CC1
• Title of publication: Synthesis, crystal structure and Hirshfeld surface analysis of 5-cyclopropyl-<i>N</i>-(2-hydroxyethyl)-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazole-4-carboxamide
• Authors of publication: Pokhodylo, Nazariy T.; Slyvka, Yurii; Pavlyuk, Volodymyr
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 10
• a: 14.3158 ± 0.0006 Å
• b: 8.3972 ± 0.0003 Å
• c: 13.0871 ± 0.0004 Å
• α: 90°
• β: 108.04 ± 0.004°
• γ: 90°
• Cell volume: 1495.9 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0904
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes