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Information card for entry 2312496
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Coordinates | 2312496.cif |
---|---|
Original IUCr paper | HTML |
Formula | C11 H13 Cl2 N5 O S |
---|---|
Calculated formula | C11 H13 Cl2 N5 O S |
Title of publication | Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design. |
Authors of publication | Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest |
Journal of publication | Acta crystallographica Section B, Structural science, crystal engineering and materials |
Year of publication | 2024 |
Journal volume | 80 |
Journal issue | 3 |
a | 10.6626 ± 0.0003 Å |
b | 7.3529 ± 0.0002 Å |
c | 19.6714 ± 0.0005 Å |
α | 90° |
β | 92.096 ± 0.002° |
γ | 90° |
Cell volume | 1541.23 ± 0.07 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0502 |
Residual factor for significantly intense reflections | 0.0422 |
Weighted residual factors for significantly intense reflections | 0.1139 |
Weighted residual factors for all reflections included in the refinement | 0.1176 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.952 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/2312496.html
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Users of the data should acknowledge the original authors of the
structural data.