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Crystal structure of (7-fluoro-2-oxo-2H-chromen-4-yl)methyl morpholine-4-carbodithioate
In the title compound, C(15)H(14)FNO(3)S(2), the 2H-chromene ring system is close to being planar (r.m.s. deviation = 0.024 Å) and the morpholine ring adopts a chair conformation. The dihedral angle between the 2H-chromene ring system and the morpholine ring (all atoms) is 88.21 (11)°. In the crysta...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2015
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719885/ https://www.ncbi.nlm.nih.gov/pubmed/26870532 http://dx.doi.org/10.1107/S2056989015021179 |
| _version_ | 1782410995211173888 |
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| author | Anitha, B. R. Gunaseelan, A. Thomas Vinduvahini, M. Kavitha, H. D. Devarajegowda, H. C. |
| author_facet | Anitha, B. R. Gunaseelan, A. Thomas Vinduvahini, M. Kavitha, H. D. Devarajegowda, H. C. |
| author_sort | Anitha, B. R. |
| collection | PubMed |
| description | In the title compound, C(15)H(14)FNO(3)S(2), the 2H-chromene ring system is close to being planar (r.m.s. deviation = 0.024 Å) and the morpholine ring adopts a chair conformation. The dihedral angle between the 2H-chromene ring system and the morpholine ring (all atoms) is 88.21 (11)°. In the crystal, inversion dimers linked by pairs of very weak C—H⋯F hydrogen bonds generate R (2) (2)(8) loops; C—H⋯O hydrogen bonds connect the dimers into [010] chains. Weak aromatic π–π stacking interactions between the pyran rings of the chromene systems [centroid–centroid distance = 3.6940 (16) Å] are also observed. |
| format | Online Article Text |
| id | pubmed-4719885 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2015 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-47198852016-02-11 Crystal structure of (7-fluoro-2-oxo-2H-chromen-4-yl)methyl morpholine-4-carbodithioate Anitha, B. R. Gunaseelan, A. Thomas Vinduvahini, M. Kavitha, H. D. Devarajegowda, H. C. Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(15)H(14)FNO(3)S(2), the 2H-chromene ring system is close to being planar (r.m.s. deviation = 0.024 Å) and the morpholine ring adopts a chair conformation. The dihedral angle between the 2H-chromene ring system and the morpholine ring (all atoms) is 88.21 (11)°. In the crystal, inversion dimers linked by pairs of very weak C—H⋯F hydrogen bonds generate R (2) (2)(8) loops; C—H⋯O hydrogen bonds connect the dimers into [010] chains. Weak aromatic π–π stacking interactions between the pyran rings of the chromene systems [centroid–centroid distance = 3.6940 (16) Å] are also observed. International Union of Crystallography 2015-11-14 /pmc/articles/PMC4719885/ /pubmed/26870532 http://dx.doi.org/10.1107/S2056989015021179 Text en © Anitha et al. 2015 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 | Data Reports Anitha, B. R. Gunaseelan, A. Thomas Vinduvahini, M. Kavitha, H. D. Devarajegowda, H. C. Crystal structure of (7-fluoro-2-oxo-2H-chromen-4-yl)methyl morpholine-4-carbodithioate |
| title | Crystal structure of (7-fluoro-2-oxo-2H-chromen-4-yl)methyl morpholine-4-carbodithioate |
| title_full | Crystal structure of (7-fluoro-2-oxo-2H-chromen-4-yl)methyl morpholine-4-carbodithioate |
| title_fullStr | Crystal structure of (7-fluoro-2-oxo-2H-chromen-4-yl)methyl morpholine-4-carbodithioate |
| title_full_unstemmed | Crystal structure of (7-fluoro-2-oxo-2H-chromen-4-yl)methyl morpholine-4-carbodithioate |
| title_short | Crystal structure of (7-fluoro-2-oxo-2H-chromen-4-yl)methyl morpholine-4-carbodithioate |
| title_sort | crystal structure of (7-fluoro-2-oxo-2h-chromen-4-yl)methyl morpholine-4-carbodithioate |
| topic | Data Reports |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719885/ https://www.ncbi.nlm.nih.gov/pubmed/26870532 http://dx.doi.org/10.1107/S2056989015021179 |
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