Information card for entry 1545016

Structure parameters

• Chemical name: (<i>E</i>)-2-(5-Chloro-2-hydroxybenzylidene)-<i>N</i>-cyclohexylhydrazine-1-carbothioamide
• Formula: C14 H18 Cl N3 O S
• Calculated formula: C14 H18 Cl N3 O S
• SMILES: Clc1cc(c(O)cc1)/C=N/NC(=S)NC1CCCCC1
• Title of publication: (<i>E</i>)-2-(5-Chloro-2-hydroxybenzylidene)-<i>N</i>-cyclohexylhydrazine-1-carbothioamide
• Authors of publication: Arafath, Md. Azharul; Adam, Farook; Razali, Mohd. R.
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 1
• Pages of publication: x161997
• a: 5.9923 ± 0.0001 Å
• b: 11.0704 ± 0.0002 Å
• c: 12.1128 ± 0.0003 Å
• α: 107.981 ± 0.0009°
• β: 91.3414 ± 0.0009°
• γ: 97.2061 ± 0.0009°
• Cell volume: 756.6 ± 0.03 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes