Information card for entry 7224968

Structure parameters

• Formula: C13 H16 N4 O3 S3
• Calculated formula: C13 H16 N4 O3 S3
• Title of publication: Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities
• Authors of publication: Phukan, Nithi; Baruah, Jubaraj B.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 21
• Pages of publication: 3877
• a: 7.8556 ± 0.0004 Å
• b: 10.5492 ± 0.0005 Å
• c: 11.5009 ± 0.0006 Å
• α: 91.605 ± 0.003°
• β: 102.511 ± 0.003°
• γ: 110.839 ± 0.002°
• Cell volume: 863.8 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0393
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No