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Information card for entry 7229578
Preview
Coordinates | 7229578.cif |
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Original paper (by DOI) | HTML |
Chemical name | rac-3-chloro-5-hydroxy-1-(4-methylbenzyl)-4-[(4-methylphenyl)sulfanyl]-1,5-dihydro-2H-pyrrol-2-one |
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Formula | C19 H18 Cl N O2 S |
Calculated formula | C19 H18 Cl N O2 S |
Title of publication | Structural aspects of partial solid solution formation: Two crystalline modifications of chiral derivative of 1,5-dihydro-2H-pyrrol-2-one under consideration |
Authors of publication | Lodochnikova, Olga; Kosolapova, Liliya; Saifina, Alina; Gubaidullin, Aidar Timergalievich; Fayzullin, Robert R.; Ayrat, Khamatgalimov; Litvinov, Igor; Kurbangalieva, Almira |
Journal of publication | CrystEngComm |
Year of publication | 2017 |
a | 8.406 ± 0.004 Å |
b | 35.455 ± 0.017 Å |
c | 12.722 ± 0.006 Å |
α | 90° |
β | 106.65 ± 0.007° |
γ | 90° |
Cell volume | 3633 ± 3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1648 |
Residual factor for significantly intense reflections | 0.0529 |
Weighted residual factors for significantly intense reflections | 0.0909 |
Weighted residual factors for all reflections included in the refinement | 0.1273 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.951 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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