Information card for entry 2214172

Structure parameters

• Chemical name: <i>N</i>-[(5-Chlorothiophen-2-yl)methylene]-5-methylthiazol-2-amine
• Formula: C9 H7 Cl N2 S2
• Calculated formula: C9 H7 Cl N2 S2
• SMILES: Cc1cnc(/N=C/c2ccc(Cl)s2)s1
• Title of publication: <i>N</i>-[(5-Chlorothiophen-2-yl)methylene]-5-methylthiazol-2-amine
• Authors of publication: Chun-Niu Zhang; Yun-Fa Zheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3310 - o3310
• a: 3.9472 ± 0.0004 Å
• b: 23.281 ± 0.002 Å
• c: 6.0379 ± 0.0006 Å
• α: 90°
• β: 104.214 ± 0.001°
• γ: 90°
• Cell volume: 537.86 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0233
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes