Information card for entry 7207165

Structure parameters

• Common name: Sulfamerazine-dimethylformamide(1:1)
• Chemical name: Sulfamerazine-dimethylformamide(1:1)
• Formula: C14 H19 N5 O3 S
• Calculated formula: C14 H19 N5 O3 S
• SMILES: S(=O)(=O)(Nc1nc(C)ccn1)c1ccc(N)cc1.N(C)(C=O)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: 9.774 ± 0.002 Å
• b: 12.556 ± 0.003 Å
• c: 14.659 ± 0.003 Å
• α: 76.58 ± 0.03°
• β: 77.57 ± 0.03°
• γ: 86.18 ± 0.03°
• Cell volume: 1708.6 ± 0.7 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: 0.0828
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1708
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No