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(7-Chloro-2-oxo-2H-chromen-4-yl)methyl pyrrolidine-1-carbodithioate
In the title compound, C(15)H(14)ClNO(2)S(2), the 2H-chromene ring system is essentially planar, with a maximum deviation of 0.0133 (10) Å. Three C atoms and their attached H atoms of the pyrrolidine ring are disordered [occupany ratio 0.874 (7):0.126 (7)] with both disorder components adopting a tw...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884339/ https://www.ncbi.nlm.nih.gov/pubmed/24454115 http://dx.doi.org/10.1107/S1600536813028080 |
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author | Kotresh, O. Devarajegowda, H. C. Shirahatti, Arunkumar Kumar, K. Mahesh Mahabhaleshwaraiah, N. M. |
author_facet | Kotresh, O. Devarajegowda, H. C. Shirahatti, Arunkumar Kumar, K. Mahesh Mahabhaleshwaraiah, N. M. |
author_sort | Kotresh, O. |
collection | PubMed |
description | In the title compound, C(15)H(14)ClNO(2)S(2), the 2H-chromene ring system is essentially planar, with a maximum deviation of 0.0133 (10) Å. Three C atoms and their attached H atoms of the pyrrolidine ring are disordered [occupany ratio 0.874 (7):0.126 (7)] with both disorder components adopting a twisted conformation. The dihedral angle between the 2H-chromene ring system and the major occupancy component of the pyrrolidine ring is 89.45 (7)°. In the crystal, inversion dimers linked by pairs of C—H⋯S and C—H⋯O interactions generate R (2) (2)(24) and R (2) (2)(10) loops, respectively. Further C—H⋯O hydrogen bonds link the dimers into [100] chains. C—H⋯π interactions also occur and there is very weak π–π stacking [interplanar spacing = 3.650 (5) Å; centroid–centroid distance = 4.095 (7) Å] between inversion-related chlorobenzene rings. |
format | Online Article Text |
id | pubmed-3884339 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-38843392014-01-17 (7-Chloro-2-oxo-2H-chromen-4-yl)methyl pyrrolidine-1-carbodithioate Kotresh, O. Devarajegowda, H. C. Shirahatti, Arunkumar Kumar, K. Mahesh Mahabhaleshwaraiah, N. M. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(15)H(14)ClNO(2)S(2), the 2H-chromene ring system is essentially planar, with a maximum deviation of 0.0133 (10) Å. Three C atoms and their attached H atoms of the pyrrolidine ring are disordered [occupany ratio 0.874 (7):0.126 (7)] with both disorder components adopting a twisted conformation. The dihedral angle between the 2H-chromene ring system and the major occupancy component of the pyrrolidine ring is 89.45 (7)°. In the crystal, inversion dimers linked by pairs of C—H⋯S and C—H⋯O interactions generate R (2) (2)(24) and R (2) (2)(10) loops, respectively. Further C—H⋯O hydrogen bonds link the dimers into [100] chains. C—H⋯π interactions also occur and there is very weak π–π stacking [interplanar spacing = 3.650 (5) Å; centroid–centroid distance = 4.095 (7) Å] between inversion-related chlorobenzene rings. International Union of Crystallography 2013-10-23 /pmc/articles/PMC3884339/ /pubmed/24454115 http://dx.doi.org/10.1107/S1600536813028080 Text en © Kotresh et al. 2013 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 Kotresh, O. Devarajegowda, H. C. Shirahatti, Arunkumar Kumar, K. Mahesh Mahabhaleshwaraiah, N. M. (7-Chloro-2-oxo-2H-chromen-4-yl)methyl pyrrolidine-1-carbodithioate |
title | (7-Chloro-2-oxo-2H-chromen-4-yl)methyl pyrrolidine-1-carbodithioate |
title_full | (7-Chloro-2-oxo-2H-chromen-4-yl)methyl pyrrolidine-1-carbodithioate |
title_fullStr | (7-Chloro-2-oxo-2H-chromen-4-yl)methyl pyrrolidine-1-carbodithioate |
title_full_unstemmed | (7-Chloro-2-oxo-2H-chromen-4-yl)methyl pyrrolidine-1-carbodithioate |
title_short | (7-Chloro-2-oxo-2H-chromen-4-yl)methyl pyrrolidine-1-carbodithioate |
title_sort | (7-chloro-2-oxo-2h-chromen-4-yl)methyl pyrrolidine-1-carbodithioate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884339/ https://www.ncbi.nlm.nih.gov/pubmed/24454115 http://dx.doi.org/10.1107/S1600536813028080 |
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