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Information card for entry 7246096
Preview
Coordinates | 7246096.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H28 Cl N7 O4 |
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Calculated formula | C27 H28 Cl N7 O4 |
SMILES | Clc1ccc2N(C3CC[NH+](CCCN4c5c(NC4=O)cccc5)CC3)C(=O)Nc2c1.[O-]C(=O)c1cnccn1 |
Title of publication | Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation |
Authors of publication | Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu |
Journal of publication | CrystEngComm |
Year of publication | 2023 |
Journal volume | 25 |
Journal issue | 4 |
Pages of publication | 513 - 524 |
a | 18.068 ± 0.009 Å |
b | 9.615 ± 0.005 Å |
c | 16.759 ± 0.008 Å |
α | 90° |
β | 116.929 ± 0.007° |
γ | 90° |
Cell volume | 2596 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.1523 |
Residual factor for significantly intense reflections | 0.0728 |
Weighted residual factors for significantly intense reflections | 0.1911 |
Weighted residual factors for all reflections included in the refinement | 0.2466 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.274 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7246096.html
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Users of the data should acknowledge the original authors of the
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