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Information card for entry 4502907
Preview
Coordinates | 4502907.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C15 H19 N9 O8 S4 |
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Calculated formula | C15 H19 N9 O8 S4 |
SMILES | s1c(S(=O)(=O)N)nnc1NC(=O)C.s1c(S(=O)(=O)N)nnc1NC(=O)C.NC(=O)c1c(O)cccc1 |
Title of publication | Modification of the Supramolecular Hydrogen-Bonding Patterns of Acetazolamide in the Presence of Different Cocrystal Formers: 3:1, 2:1, 1:1, and 1:2 Cocrystals from Screening with the Structural Isomers of Hydroxybenzoic Acids, Aminobenzoic Acids, Hydroxybenzamides, Aminobenzamides, Nicotinic Acids, Nicotinamides, and 2,3-Dihydroxybenzoic Acids |
Authors of publication | Arenas-García, Jenniffer I.; Herrera-Ruiz, Dea; Mondragón-Vásquez, Karina; Morales-Rojas, Hugo; Höpfl, Herbert |
Journal of publication | Crystal Growth & Design |
Year of publication | 2012 |
Journal volume | 12 |
Journal issue | 2 |
Pages of publication | 811 - 824 |
a | 8.82 ± 0.0008 Å |
b | 9.1977 ± 0.0008 Å |
c | 14.8854 ± 0.0014 Å |
α | 95.872 ± 0.002° |
β | 100.119 ± 0.002° |
γ | 102.197 ± 0.002° |
Cell volume | 1149.68 ± 0.18 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0679 |
Weighted residual factors for significantly intense reflections | 0.1386 |
Weighted residual factors for all reflections included in the refinement | 0.142 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.292 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4502907.html
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Users of the data should acknowledge the original authors of the
structural data.