Information card for entry 2232594

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(1,3-thiazol-2-yl)methylenediamine
• Formula: C7 H8 N4 S2
• Calculated formula: C7 H8 N4 S2
• SMILES: s1c(NCNc2sccn2)ncc1
• Title of publication: <i>N</i>,<i>N</i>'-Bis(1,3-thiazol-2-yl)methylenediamine
• Authors of publication: Salimi, Farshid; Sahebalzamani, Hajar; Maleki, Masume; Notash, Behrouz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3320
• a: 7.8598 ± 0.0016 Å
• b: 8.9291 ± 0.0018 Å
• c: 13.672 ± 0.003 Å
• α: 90°
• β: 96.39 ± 0.03°
• γ: 90°
• Cell volume: 953.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1088
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes