Information card for entry 2239625

Structure parameters

• Chemical name: <i>N</i>-Ethyl-2-[1-(2-hydroxynaphthalen-1-yl)ethylidene]hydrazinecarbothioamide
• Formula: C15 H17 N3 O S
• Calculated formula: C15 H17 N3 O S
• SMILES: CCNC(=S)N/N=C(\c1c(O)ccc2c1cccc2)C
• Title of publication: <i>N</i>-Ethyl-2-[1-(2-hydroxynaphthalen-1-yl)ethylidene]hydrazinecarbothioamide
• Authors of publication: Anderson, Brian J.; Shalit, Zachary A.; Jasinski, Jerry P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: o732
• a: 8.8988 ± 0.0007 Å
• b: 9.2993 ± 0.0008 Å
• c: 9.4821 ± 0.0005 Å
• α: 92.525 ± 0.006°
• β: 113.034 ± 0.007°
• γ: 93.99 ± 0.007°
• Cell volume: 718.18 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes