Information card for entry 8105840

Structure parameters

• Chemical name: 2-chloro-4-(prop-2-yn-1-yloxy)-6-(thiophen-2-yl)-1,3,5-triazine
• Formula: C10 H6 Cl N3 O S
• Calculated formula: C10 H6 Cl N3 O S
• Title of publication: Crystal structure of 2-chloro-4-(prop-2-yn-1-yloxy)-6-(thiophen-2-yl)-1,3,5-triazine, C10H6ClN3OS
• Authors of publication: Zuo, Zhenyu; Guo, Tianyu; Song, Xiaomei; Guo, Dongyan; Song, Xiao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 4
• Pages of publication: 753 - 755
• a: 18.3141 ± 0.0004 Å
• b: 7.31845 ± 0.00015 Å
• c: 17.7885 ± 0.0004 Å
• α: 90°
• β: 110.495 ± 0.003°
• γ: 90°
• Cell volume: 2233.29 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No