Information card for entry 7232230

Structure parameters

• Formula: C10 H12 N4 O2 S
• Calculated formula: C10 H12 N4 O2 S
• Title of publication: Separation or combination of non-covalently linked partners provides polymorphs of N-(aryl)-2-(propan-2-ylidene)hydrazine carbothioamides
• Authors of publication: Tarai, Arup; Baruah, Jubaraj Bikash
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 9
• Pages of publication: 1397
• a: 13.169 ± 0.0012 Å
• b: 4.4889 ± 0.0004 Å
• c: 20.4829 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1210.83 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No