Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7156021
Preview
Coordinates | 7156021.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H19 Cl N2 O2 S2 |
---|---|
Calculated formula | C18 H19 Cl N2 O2 S2 |
SMILES | S(=O)(=O)(N1/C(=N/c2ccc(cc2)C)SCC1)c1c(C)cc(Cl)c(c1)C |
Title of publication | Synthesis of thiazolidine-thiones, imino-thiazolidines and oxazolidines via the base promoted cyclisation of epoxy-sulfonamides and heterocumulenes. |
Authors of publication | Anitha, Mandala; Swamy, K. C. Kumara |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2018 |
Journal volume | 16 |
Journal issue | 3 |
Pages of publication | 402 - 413 |
a | 17.218 ± 0.007 Å |
b | 7.657 ± 0.003 Å |
c | 14.611 ± 0.006 Å |
α | 90° |
β | 103.225 ± 0.012° |
γ | 90° |
Cell volume | 1875.2 ± 1.3 Å3 |
Cell temperature | 292 ± 2 K |
Ambient diffraction temperature | 292 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1276 |
Residual factor for significantly intense reflections | 0.0547 |
Weighted residual factors for significantly intense reflections | 0.1079 |
Weighted residual factors for all reflections included in the refinement | 0.1277 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
230882 (current) | 2019-11-17 | cif/ Updating files of 7156017, 7156018, 7156019, 7156020, 7156021 Original log message: Adding full bibliography for 7156017--7156021.cif. |
7156021.cif |
204036 | 2017-12-07 | cif/ Adding structures of 7156017, 7156018, 7156019, 7156020, 7156021 via cif-deposit CGI script. |
7156021.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.