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Information card for entry 2200112
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Coordinates | 2200112.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 1-[3-(4-Chlorobenzylideneamino)-2-oxooxazolidin-5-ylmethyl]morpholinium chloride monohydrate |
---|---|
Formula | C15 H21 Cl2 N3 O4 |
Calculated formula | C15 H21 Cl2 N3 O4 |
SMILES | [NH+]1(CCOCC1)CC1OC(=O)N(C1)\N=C\c1ccc(Cl)cc1.[Cl-].O |
Title of publication | 4-[3-(4-Chlorobenzylideneamino)-2-oxooxazolidin-5-ylmethyl]morpholin-4-ium chloride monohydrate |
Authors of publication | Bartczak, Tadeusz J.; Kruszynski, Rafal; Chilmonczyk, Zdzislaw; Cybulski, Jacek |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2001 |
Journal volume | 57 |
Journal issue | 4 |
Pages of publication | o341 - o343 |
a | 7.122 ± 0.002 Å |
b | 8.809 ± 0.002 Å |
c | 15.178 ± 0.003 Å |
α | 95.98 ± 0.02° |
β | 99.34 ± 0.02° |
γ | 107.43 ± 0.02° |
Cell volume | 884.6 ± 0.4 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 | 0.049 |
Residual factor for significantly intense reflections | 0.043 |
Weighted residual factors for all reflections included in the refinement | 0.1202 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
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/2200112.html
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