Information card for entry 7230096

Structure parameters

• Chemical name: (E)-N-(benzo[d]thiazol-2-yl)-3-(3,4-dimethoxyphenyl)acrylamide
• Formula: C18 H16 N2 O3 S
• Calculated formula: C18 H16 N2 O3 S
• SMILES: s1c2ccccc2nc1NC(=O)/C=C/c1cc(OC)c(OC)cc1
• Title of publication: Synthesis of a series of benzothiazole amide derivatives and their biological evaluation as potent hemostatic agents
• Authors of publication: Nong, Wenqian; Zhao, Anran; Wei, Jinrui; Cheng, Hui; Luo, Xuan; Lin, Cuiwu
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 12
• Pages of publication: 6231
• a: 8.2809 ± 0.0002 Å
• b: 8.4804 ± 0.0003 Å
• c: 12.4655 ± 0.0003 Å
• α: 74.802 ± 0.002°
• β: 89.117 ± 0.002°
• γ: 84.624 ± 0.002°
• Cell volume: 841.02 ± 0.04 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.046
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No