Cargando…
3-(2-Amino-1,3-thiazol-4-yl)-6-chloro-2H-chromen-2-one
The title compound, C(12)H(7)ClN(2)O(2)S, crystallizes with two molecules in the asymmetric unit. The molecular conformation is roughly planar for both these molecules with maximum deviations of 0.177 (3) and 0.076 (4) Å from their respective mean planes. In the crystal, strong N—H⋯N and weak but...
| Autores principales: | , , , , , , |
|---|---|
| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2009
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971916/ https://www.ncbi.nlm.nih.gov/pubmed/21578837 http://dx.doi.org/10.1107/S1600536809048247 |
| _version_ | 1782190700033474560 |
|---|---|
| author | Chopra, Deepak Choudhury, A. R. Venugopala, K. N. Govender, Thavendran Kruger, Hendrik G. Maguire, Glenn E. M. Guru Row, T. N. |
| author_facet | Chopra, Deepak Choudhury, A. R. Venugopala, K. N. Govender, Thavendran Kruger, Hendrik G. Maguire, Glenn E. M. Guru Row, T. N. |
| author_sort | Chopra, Deepak |
| collection | PubMed |
| description | The title compound, C(12)H(7)ClN(2)O(2)S, crystallizes with two molecules in the asymmetric unit. The molecular conformation is roughly planar for both these molecules with maximum deviations of 0.177 (3) and 0.076 (4) Å from their respective mean planes. In the crystal, strong N—H⋯N and weak but highly directional C—H⋯O hydrogen bonds provide the links between the molecules. The structure is further stabilised by aromatic π–π stacking interactions with centroid–centroid distances in the range 3.650 (3)–3.960 (3) Å. |
| format | Text |
| id | pubmed-2971916 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2009 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-29719162010-12-30 3-(2-Amino-1,3-thiazol-4-yl)-6-chloro-2H-chromen-2-one Chopra, Deepak Choudhury, A. R. Venugopala, K. N. Govender, Thavendran Kruger, Hendrik G. Maguire, Glenn E. M. Guru Row, T. N. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(12)H(7)ClN(2)O(2)S, crystallizes with two molecules in the asymmetric unit. The molecular conformation is roughly planar for both these molecules with maximum deviations of 0.177 (3) and 0.076 (4) Å from their respective mean planes. In the crystal, strong N—H⋯N and weak but highly directional C—H⋯O hydrogen bonds provide the links between the molecules. The structure is further stabilised by aromatic π–π stacking interactions with centroid–centroid distances in the range 3.650 (3)–3.960 (3) Å. International Union of Crystallography 2009-11-18 /pmc/articles/PMC2971916/ /pubmed/21578837 http://dx.doi.org/10.1107/S1600536809048247 Text en © Chopra et al. 2009 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
| spellingShingle | Organic Papers Chopra, Deepak Choudhury, A. R. Venugopala, K. N. Govender, Thavendran Kruger, Hendrik G. Maguire, Glenn E. M. Guru Row, T. N. 3-(2-Amino-1,3-thiazol-4-yl)-6-chloro-2H-chromen-2-one |
| title | 3-(2-Amino-1,3-thiazol-4-yl)-6-chloro-2H-chromen-2-one |
| title_full | 3-(2-Amino-1,3-thiazol-4-yl)-6-chloro-2H-chromen-2-one |
| title_fullStr | 3-(2-Amino-1,3-thiazol-4-yl)-6-chloro-2H-chromen-2-one |
| title_full_unstemmed | 3-(2-Amino-1,3-thiazol-4-yl)-6-chloro-2H-chromen-2-one |
| title_short | 3-(2-Amino-1,3-thiazol-4-yl)-6-chloro-2H-chromen-2-one |
| title_sort | 3-(2-amino-1,3-thiazol-4-yl)-6-chloro-2h-chromen-2-one |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971916/ https://www.ncbi.nlm.nih.gov/pubmed/21578837 http://dx.doi.org/10.1107/S1600536809048247 |
| work_keys_str_mv | AT chopradeepak 32amino13thiazol4yl6chloro2hchromen2one AT choudhuryar 32amino13thiazol4yl6chloro2hchromen2one AT venugopalakn 32amino13thiazol4yl6chloro2hchromen2one AT govenderthavendran 32amino13thiazol4yl6chloro2hchromen2one AT krugerhendrikg 32amino13thiazol4yl6chloro2hchromen2one AT maguireglennem 32amino13thiazol4yl6chloro2hchromen2one AT gururowtn 32amino13thiazol4yl6chloro2hchromen2one |