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Information card for entry 1502649
Preview
Coordinates | 1502649.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (6-Amino-2-benzylsulfanyl-5-phenyl-pyrimidin-4-yloxy)-acetonitrile |
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Formula | C19 H16 N4 O S |
Calculated formula | C19 H16 N4 O S |
SMILES | S(c1nc(c(c2ccccc2)c(OCC#N)n1)N)Cc1ccccc1 |
Title of publication | Microwave-assisted synthesis of substituted 2-(benzylthio)imidazo[1,2a]pyrimidin-5-ones. |
Authors of publication | Soh, Chai Hoon; Lam, Yulin |
Journal of publication | Journal of combinatorial chemistry |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 2 |
Pages of publication | 286 - 291 |
a | 6.9999 ± 0.0004 Å |
b | 17.428 ± 0.001 Å |
c | 13.8297 ± 0.0008 Å |
α | 90° |
β | 96.91 ± 0.001° |
γ | 90° |
Cell volume | 1674.89 ± 0.17 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 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 | 0.0481 |
Residual factor for significantly intense reflections | 0.0422 |
Weighted residual factors for significantly intense reflections | 0.1053 |
Weighted residual factors for all reflections included in the refinement | 0.1091 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
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/1502649.html
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