Information card for entry 7232228

Structure parameters

• Formula: C11 H15 N3 O S
• Calculated formula: C11 H15 N3 O 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: 15.0421 ± 0.0005 Å
• b: 11.2751 ± 0.0004 Å
• c: 15.5078 ± 0.0005 Å
• α: 90°
• β: 104.491 ± 0.002°
• γ: 90°
• Cell volume: 2546.47 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No