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1,3-Dimeth­oxy-2,3-dihydro-1H-isoindole-2-carbothio­amide

In the mol­ecule of the title compound, C(11)H(14)N(2)O(2)S, the five-membered ring adopts an envelope conformation and an intramolecular N—H⋯O hydrogen bond occurs. Intra­molecular N—H⋯O, C—H⋯S and C—H⋯N hydrogen bonds result in the formation of two five- and one six-membered rings, having twisted...

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Autores principales: Maliha, Bushra, Tariq, Muhammad Ilyas, Tahir, M. Nawaz, Hussain, Ishtiaq, Ali, Muhammad
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2967958/
https://www.ncbi.nlm.nih.gov/pubmed/21581684
http://dx.doi.org/10.1107/S1600536808040075
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author Maliha, Bushra
Tariq, Muhammad Ilyas
Tahir, M. Nawaz
Hussain, Ishtiaq
Ali, Muhammad
author_facet Maliha, Bushra
Tariq, Muhammad Ilyas
Tahir, M. Nawaz
Hussain, Ishtiaq
Ali, Muhammad
author_sort Maliha, Bushra
collection PubMed
description In the mol­ecule of the title compound, C(11)H(14)N(2)O(2)S, the five-membered ring adopts an envelope conformation and an intramolecular N—H⋯O hydrogen bond occurs. Intra­molecular N—H⋯O, C—H⋯S and C—H⋯N hydrogen bonds result in the formation of two five- and one six-membered rings, having twisted conformations. In the crystal structure, inter­molecular N—H⋯O, N—H⋯S and C—H⋯S hydrogen bonds link the mol­ecules, forming polymeric sheets. The π–π contacts between the isoindole ring systems, [centroid–centroid distances = 3.5883 (8) and 4.0619 (8) Å] may further stabilize the structure. A C—H⋯π inter­actions also occur.
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spelling pubmed-29679582010-12-30 1,3-Dimeth­oxy-2,3-dihydro-1H-isoindole-2-carbothio­amide Maliha, Bushra Tariq, Muhammad Ilyas Tahir, M. Nawaz Hussain, Ishtiaq Ali, Muhammad Acta Crystallogr Sect E Struct Rep Online Organic Papers In the mol­ecule of the title compound, C(11)H(14)N(2)O(2)S, the five-membered ring adopts an envelope conformation and an intramolecular N—H⋯O hydrogen bond occurs. Intra­molecular N—H⋯O, C—H⋯S and C—H⋯N hydrogen bonds result in the formation of two five- and one six-membered rings, having twisted conformations. In the crystal structure, inter­molecular N—H⋯O, N—H⋯S and C—H⋯S hydrogen bonds link the mol­ecules, forming polymeric sheets. The π–π contacts between the isoindole ring systems, [centroid–centroid distances = 3.5883 (8) and 4.0619 (8) Å] may further stabilize the structure. A C—H⋯π inter­actions also occur. International Union of Crystallography 2008-12-06 /pmc/articles/PMC2967958/ /pubmed/21581684 http://dx.doi.org/10.1107/S1600536808040075 Text en © Maliha 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
Maliha, Bushra
Tariq, Muhammad Ilyas
Tahir, M. Nawaz
Hussain, Ishtiaq
Ali, Muhammad
1,3-Dimeth­oxy-2,3-dihydro-1H-isoindole-2-carbothio­amide
title 1,3-Dimeth­oxy-2,3-dihydro-1H-isoindole-2-carbothio­amide
title_full 1,3-Dimeth­oxy-2,3-dihydro-1H-isoindole-2-carbothio­amide
title_fullStr 1,3-Dimeth­oxy-2,3-dihydro-1H-isoindole-2-carbothio­amide
title_full_unstemmed 1,3-Dimeth­oxy-2,3-dihydro-1H-isoindole-2-carbothio­amide
title_short 1,3-Dimeth­oxy-2,3-dihydro-1H-isoindole-2-carbothio­amide
title_sort 1,3-dimeth­oxy-2,3-dihydro-1h-isoindole-2-carbothio­amide
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2967958/
https://www.ncbi.nlm.nih.gov/pubmed/21581684
http://dx.doi.org/10.1107/S1600536808040075
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