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Information card for entry 7216518
Preview
Coordinates | 7216518.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (±)-4'-methylmethcathinone hydrochloride, Mephedrone |
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Formula | C11 H16 Cl N O |
Calculated formula | C11 H16 Cl N O |
SMILES | Cc1ccc(cc1)C(=O)C(C)[NH2+]C.[Cl-] |
Title of publication | Drug solid solutions ‒ a method for tuning phase transformations |
Authors of publication | Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H. |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 26 |
Pages of publication | 5827 |
a | 7.1264 ± 0.0014 Å |
b | 22.986 ± 0.005 Å |
c | 7.4072 ± 0.0014 Å |
α | 90° |
β | 90.974 ± 0.002° |
γ | 90° |
Cell volume | 1213.2 ± 0.4 Å3 |
Cell temperature | 230 K |
Ambient diffraction temperature | 230 K |
Number of distinct elements | 5 |
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 | 0.0714 |
Residual factor for significantly intense reflections | 0.0413 |
Weighted residual factors for all reflections | 0.115 |
Weighted residual factors for significantly intense reflections | 0.0939 |
Weighted residual factors for all reflections included in the refinement | 0.115 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9794 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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