Information card for entry 2213926

Structure parameters

• Chemical name: Benzyl <i>N</i>'-[1-(3-pyridyl)ethylidene]hydrazinecarbodithioate
• Formula: C15 H15 N3 S2
• Calculated formula: C15 H15 N3 S2
• SMILES: C(=S)(SCc1ccccc1)N/N=C(/c1cnccc1)C
• Title of publication: Benzyl <i>N</i>'-[1-(3-pyridyl)ethylidene]hydrazinecarbodithioate
• Authors of publication: How, Fiona N.-F.; Watkin, David J.; Crouse, Karen A.; M. Ibrahim M. Tahir
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o3023 - o3024
• a: 11.7234 ± 0.0002 Å
• b: 13.5577 ± 0.0002 Å
• c: 9.3637 ± 0.0001 Å
• α: 90°
• β: 93.2187 ± 0.0007°
• γ: 90°
• Cell volume: 1485.94 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0338
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for all reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes