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Information card for entry 7215977
Preview
Coordinates | 7215977.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Succinylsulfathiazole tetrahydrofuran solvate |
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Formula | C30 H34 N6 O11 S4 |
Calculated formula | C30 H34 N6 O11 S4 |
SMILES | S(=O)(=O)(c1ccc(cc1)NC(=O)CCC(=O)O)N=C1SC=CN1.C1CCCO1 |
Title of publication | Tautomeric preference in polymorphs and pseudopolymorphs of succinylsulfathiazole: fast evaporation screening and thermal studies |
Authors of publication | Bag, Partha Pratim; Kothur, Raghuram Reddy; Malla Reddy, C. |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 22 |
Pages of publication | 4706 |
a | 8.7032 ± 0.0002 Å |
b | 14.5604 ± 0.0005 Å |
c | 15.5676 ± 0.0005 Å |
α | 64.602 ± 0.002° |
β | 77.24 ± 0.002° |
γ | 83.635 ± 0.002° |
Cell volume | 1737.79 ± 0.1 Å3 |
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 | 0.0753 |
Residual factor for significantly intense reflections | 0.044 |
Weighted residual factors for significantly intense reflections | 0.125 |
Weighted residual factors for all reflections included in the refinement | 0.1522 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.882 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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