Information card for entry 2214333

Structure parameters

• Chemical name: 2-Naphthylmethyl N-[1-(4-pyridyl)ethylidene]hydrazinecarbodithioate
• Formula: C19 H17 N3 S2
• Calculated formula: C19 H17 N3 S2
• SMILES: c12c(CSC(=S)N\N=C(\c3ccncc3)C)cccc1cccc2
• Title of publication: 2-Naphthylmethyl <i>N</i>-[1-(4-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: 7
• Pages of publication: o3135 - o3136
• a: 16.0781 ± 0.0007 Å
• b: 9.8406 ± 0.0004 Å
• c: 22.2201 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3515.6 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1306
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections: 0.211
• Weighted residual factors for significantly intense reflections: 0.1819
• Weighted residual factors for all reflections included in the refinement: 0.211
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes