(RS)-1-(1-Acetyl­indolin-5-yl)-2-chloro­propan-1-one

The mol­ecule of the title compound, C(13)H(14)ClNO(2), is roughly planar [maximum deviation = 0.060 (2) Å] with the disordered Cl/CH(3) group asymetrically distributed on both sides of the mean plane. Indeed, the Cl and CH(3) located on the stereogenic carbon exchange each other with occupancy fact...

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Autor principal: Yang, Xue-Mei
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3006937/
https://www.ncbi.nlm.nih.gov/pubmed/21587848
http://dx.doi.org/10.1107/S1600536810020969
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author Yang, Xue-Mei
author_facet Yang, Xue-Mei
author_sort Yang, Xue-Mei
collection PubMed
description The mol­ecule of the title compound, C(13)H(14)ClNO(2), is roughly planar [maximum deviation = 0.060 (2) Å] with the disordered Cl/CH(3) group asymetrically distributed on both sides of the mean plane. Indeed, the Cl and CH(3) located on the stereogenic carbon exchange each other with occupancy factors in the ratio 0.60:0.40. The whole crystal is a racemate. Non-classical C—H⋯O hydrogen bonds and π–π inter­actions [centroid–centroid distance = 3.6959 (9) Å] between symmetry-related phenyl rings stabilize the crystal structure.
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spelling pubmed-30069372010-12-30 (RS)-1-(1-Acetyl­indolin-5-yl)-2-chloro­propan-1-one Yang, Xue-Mei Acta Crystallogr Sect E Struct Rep Online Organic Papers The mol­ecule of the title compound, C(13)H(14)ClNO(2), is roughly planar [maximum deviation = 0.060 (2) Å] with the disordered Cl/CH(3) group asymetrically distributed on both sides of the mean plane. Indeed, the Cl and CH(3) located on the stereogenic carbon exchange each other with occupancy factors in the ratio 0.60:0.40. The whole crystal is a racemate. Non-classical C—H⋯O hydrogen bonds and π–π inter­actions [centroid–centroid distance = 3.6959 (9) Å] between symmetry-related phenyl rings stabilize the crystal structure. International Union of Crystallography 2010-06-09 /pmc/articles/PMC3006937/ /pubmed/21587848 http://dx.doi.org/10.1107/S1600536810020969 Text en © Xue-Mei Yang 2010 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
Yang, Xue-Mei
(RS)-1-(1-Acetyl­indolin-5-yl)-2-chloro­propan-1-one
title (RS)-1-(1-Acetyl­indolin-5-yl)-2-chloro­propan-1-one
title_full (RS)-1-(1-Acetyl­indolin-5-yl)-2-chloro­propan-1-one
title_fullStr (RS)-1-(1-Acetyl­indolin-5-yl)-2-chloro­propan-1-one
title_full_unstemmed (RS)-1-(1-Acetyl­indolin-5-yl)-2-chloro­propan-1-one
title_short (RS)-1-(1-Acetyl­indolin-5-yl)-2-chloro­propan-1-one
title_sort (rs)-1-(1-acetyl­indolin-5-yl)-2-chloro­propan-1-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3006937/
https://www.ncbi.nlm.nih.gov/pubmed/21587848
http://dx.doi.org/10.1107/S1600536810020969
work_keys_str_mv AT yangxuemei rs11acetylindolin5yl2chloropropan1one

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