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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...

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Autores principales: Kotresh, O., Devarajegowda, H. C., Shirahatti, Arunkumar, Kumar, K. Mahesh, Mahabhaleshwaraiah, N. M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
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.
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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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