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Information card for entry 4513697
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Coordinates | 4513697.cif |
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Original paper (by DOI) | HTML |
Common name | Lamotrigine cinnamic acid salt cocrystal |
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Chemical name | 6-(2,3-dichlorophenyl)-1,2,4-trigine-3,5-dimine-(E)-3-phenylprop-2-enoic acid salt cocrystal |
Formula | C18 H15 Cl2 N5 O2 |
Calculated formula | C18 H15 Cl2 N5 O2 |
Title of publication | Ionic, Neutral, and Hybrid Acid‒Base Crystalline Adducts of Lamotrigine with Improved Pharmaceutical Performance |
Authors of publication | Thipparaboina, Rajesh; Kumar, Dinesh; Mittapalli, Sudhir; Balasubramanian, Sridhar; Nangia, Ashwini; Shastri, Nalini R. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2015 |
Journal volume | 15 |
Journal issue | 12 |
Pages of publication | 5816 |
a | 17.5729 ± 0.0018 Å |
b | 7.8008 ± 0.0008 Å |
c | 14.8637 ± 0.0015 Å |
α | 90° |
β | 113.662 ± 0.002° |
γ | 90° |
Cell volume | 1866.3 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0522 |
Residual factor for significantly intense reflections | 0.0447 |
Weighted residual factors for significantly intense reflections | 0.1194 |
Weighted residual factors for all reflections included in the refinement | 0.1266 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4513697.html
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