Information card for entry 2207055

Structure parameters

• Chemical name: N-Pyridin-3-ylmethylene-N-[5-(pyridine-3-ylmethyl sulfanyl)-[1,3,4]thiadiazol-2-yl]-hydrazine'
• Formula: C14 H12 N6 S2
• Calculated formula: C14 H12 N6 S2
• SMILES: S(Cc1cnccc1)c1sc(nn1)N/N=C/c1cccnc1
• Title of publication: <i>N</i>-(3-Pyridylmethylene)-<i>N</i>'-[5-(3-pyridylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]hydrazine
• Authors of publication: Khoo, Teng-Jin; Cowley, Andrew R.; Watkin, David J.; Tahir, M. Ibrahim M.; Crouse, Karen A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3414 - o3415
• a: 4.5955 ± 0.0002 Å
• b: 11.4301 ± 0.0004 Å
• c: 14.8292 ± 0.0006 Å
• α: 74.1696 ± 0.0012°
• β: 83.0827 ± 0.0014°
• γ: 80.8197 ± 0.0013°
• Cell volume: 737.36 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.0493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0733
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes