Information card for entry 7207166

Structure parameters

• Common name: Sulfamerazine-dimethylacetamide(1:1)
• Chemical name: Sulfamerazine-dimethylacetamide(1:1)
• Formula: C15 H21 N5 O3 S
• Calculated formula: C15 H21 N5 O3 S
• SMILES: S(=O)(=O)(Nc1nccc(n1)C)c1ccc(N)cc1.O=C(N(C)C)C
• Title of publication: The solvates of sulfamerazine: structural, thermochemical, and desolvation studies
• Authors of publication: Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 691
• a: 7.6792 ± 0.0015 Å
• b: 8.3101 ± 0.0017 Å
• c: 15.125 ± 0.003 Å
• α: 93.13 ± 0.03°
• β: 101.81 ± 0.03°
• γ: 104.77 ± 0.03°
• Cell volume: 907.7 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0675
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1661
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No