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Information card for entry 7246091
Preview
Coordinates | 7246091.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H30 Cl N5 O5 |
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Calculated formula | C29 H30 Cl N5 O5 |
SMILES | Clc1ccc2N(C(=O)Nc2c1)C1CC[NH+](CC1)CCCN1C(=O)Nc2ccccc12.O=C([O-])c1ccc(O)cc1 |
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 | 9.761 ± 0.001 Å |
b | 10.491 ± 0.001 Å |
c | 14.285 ± 0.002 Å |
α | 69.04 ± 0.01° |
β | 80.93 ± 0.01° |
γ | 82.77 ± 0.01° |
Cell volume | 1345.1 ± 0.3 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 | 0.0441 |
Residual factor for significantly intense reflections | 0.038 |
Weighted residual factors for significantly intense reflections | 0.1005 |
Weighted residual factors for all reflections included in the refinement | 0.1053 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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