Information card for entry 2311472

Structure parameters

• Chemical name: 3-(Benzothiazol-2-yl)thiophene
• Formula: C11 H7 N S2
• Calculated formula: C11 H7 N S2
• Title of publication: Green synthesis and crystal structure of 3-(benzo-thia-zol-2-yl)thio-phene.
• Authors of publication: Nguyen Ngoc, Linh; Vu Quoc, Trung; Duong Quoc, Hoan; Vu Quoc, Manh; Truong Minh, Luong; Thang Pham, Chien; Van Meervelt, Luc
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 11
• Pages of publication: 1647 - 1651
• a: 6.1368 ± 0.0004 Å
• b: 13.9799 ± 0.0009 Å
• c: 11.4609 ± 0.0007 Å
• α: 90°
• β: 100.193 ± 0.002°
• γ: 90°
• Cell volume: 967.73 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0788
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.1702
• Weighted residual factors for all reflections included in the refinement: 0.1715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.222
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No