Information card for entry 2214295

Structure parameters

• Chemical name: 2-Naphthylmethyl N-(3-pyridylmethylene)hydrazinecarbodithioate
• Formula: C18 H15 N3 S2
• Calculated formula: C18 H15 N3 S2
• SMILES: c12c(CSC(=S)N/N=C/c3cnccc3)cccc1cccc2
• Title of publication: 2-Naphthylmethyl <i>N</i>-(3-pyridylmethylene)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: o3133 - o3134
• a: 13.0527 ± 0.0003 Å
• b: 7.8222 ± 0.0002 Å
• c: 16.4471 ± 0.0004 Å
• α: 90°
• β: 104.29 ± 0.0012°
• γ: 90°
• Cell volume: 1627.3 ± 0.07 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections: 0.1982
• Weighted residual factors for significantly intense reflections: 0.1786
• Weighted residual factors for all reflections included in the refinement: 0.1976
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8205
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes