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Information card for entry 7216538
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Coordinates | 7216538.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | MMP |
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Chemical name | 3-6(-Methoxypyridin-3-yl)-5-(4-methylsulfonylphenyl)- pyridine-2-amine |
Formula | C18 H17 N3 O3 S |
Calculated formula | C18 H17 N3 O3 S |
SMILES | S(=O)(=O)(c1ccc(c2cnc(N)c(c3cnc(OC)cc3)c2)cc1)C |
Title of publication | Alternative solid-state forms of a potent antimalarial aminopyridine: X-ray crystallographic, thermal and solubility aspects |
Authors of publication | Cruickshank, Dyanne L.; Younis, Yassir; Njuguna, Nicholas M.; Ongarora, Dennis S. B.; Chibale, Kelly; Caira, Mino R. |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 26 |
Pages of publication | 5781 |
a | 14.0063 ± 0.0003 Å |
b | 16.8616 ± 0.0004 Å |
c | 7.8007 ± 0.0005 Å |
α | 90° |
β | 105.402 ± 0.001° |
γ | 90° |
Cell volume | 1776.12 ± 0.13 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0585 |
Residual factor for significantly intense reflections | 0.0388 |
Weighted residual factors for significantly intense reflections | 0.0913 |
Weighted residual factors for all reflections included in the refinement | 0.1012 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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