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Information card for entry 7246094
Preview
Coordinates | 7246094.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H24 Cl N5 O6 |
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Calculated formula | C25 H27 Cl N5 O6 |
SMILES | Clc1cc2NC(=O)N(c2cc1)C1CC[NH+](CC1)CCCN1c2c(NC1=O)cccc2.O=C(O)CC(=O)[O-] |
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 | 24.266 ± 0.004 Å |
b | 6.249 ± 0.001 Å |
c | 17.38 ± 0.002 Å |
α | 90° |
β | 110.14 ± 0.04° |
γ | 90° |
Cell volume | 2474.3 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0824 |
Residual factor for significantly intense reflections | 0.0586 |
Weighted residual factors for significantly intense reflections | 0.1279 |
Weighted residual factors for all reflections included in the refinement | 0.1393 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
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/7246094.html
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Users of the data should acknowledge the original authors of the
structural data.