Information card for entry 8106921

Structure parameters

• Formula: C25 H26 N4 O4 S
• Calculated formula: C25 H26 N4 O4 S
• Title of publication: Crystal structure of N,N-diethyl-2-(2-(6-(4-methoxybenzyl)-7-oxo-7H-thiazolo[3,3-b][1,2,4]triazin-3-yl)phenoxy)acetamide, C25H26N4O4S
• Authors of publication: Liu, Si-Jie; Shang, Ruo-Feng; Jia, PengFei; Wang, Xin; Song, Yu-Pin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 2
• Pages of publication: 499 - 501
• a: 8.6698 ± 0.0017 Å
• b: 9.4692 ± 0.0019 Å
• c: 14.855 ± 0.003 Å
• α: 87.8 ± 0.03°
• β: 76.32 ± 0.03°
• γ: 77.88 ± 0.03°
• Cell volume: 1158.4 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No