Information card for entry 2238637

Structure parameters

• Chemical name: 3-(3-Methylphenyl)-5-(quinolin-8-ylmethoxy)-1,2,4-oxadiazole monohydrate
• Formula: C19 H17 N3 O3
• Calculated formula: C19 H17 N3 O3
• SMILES: Cc1ccc(cc1)c1noc(n1)COc1cccc2c1nccc2.O
• Title of publication: 3-(3-Methylphenyl)-5-(quinolin-8-ylmethoxy)-1,2,4-oxadiazole monohydrate
• Authors of publication: Yang, Lu; Liu, Wei; Wang, Han; Chen, Xing-Wei; Wang, Hai-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: o1541
• a: 7.207 ± 0.0014 Å
• b: 7.62 ± 0.0015 Å
• c: 15.109 ± 0.003 Å
• α: 92.62 ± 0.03°
• β: 90.19 ± 0.03°
• γ: 92.15 ± 0.03°
• Cell volume: 828.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No