Crystal structure of 2-oxo-1,2-diphenylethyl diisopropylcarbamate

The title compound, C21H25NO3, crystallized as a racemic twin in the Sohnke space group P21. In the molecular structure of the title compound, both enantiomers show a highly similar conformation with the urethane function and the benzoyl group showing an almost perpendicular arrangement [the dihedra...

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Autores principales:	Viktor Martens, Helmar Görls, Wolfgang Imhof
Formato:	article
Lenguaje:	EN
Publicado:	International Union of Crystallography 2021
Materias:	crystal structure urethanes carbamates c—h...o hydrogen bonds Chemistry QD1-999
Acceso en línea:	https://doaj.org/article/46504dfa51f946948f8535a090ec13c1
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id	oai:doaj.org-article:46504dfa51f946948f8535a090ec13c1
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spelling	oai:doaj.org-article:46504dfa51f946948f8535a090ec13c12021-11-12T11:16:09ZCrystal structure of 2-oxo-1,2-diphenylethyl diisopropylcarbamate2056-989010.1107/S2056989021010367https://doaj.org/article/46504dfa51f946948f8535a090ec13c12021-11-01T00:00:00Zhttp://scripts.iucr.org/cgi-bin/paper?S2056989021010367https://doaj.org/toc/2056-9890The title compound, C21H25NO3, crystallized as a racemic twin in the Sohnke space group P21. In the molecular structure of the title compound, both enantiomers show a highly similar conformation with the urethane function and the benzoyl group showing an almost perpendicular arrangement [the dihedral angle is 72.46 (8)° in the S-enantiomer and 76.21 (8)° in the R-enantiomer]. In the crystal structure, molecules of both enantiomers show infinite helical arrangements parallel to the b axis formed by weak C—H...O hydrogen bonds between the phenyl ring of the benzoyl group and the carbamate carbonyl group. In case of the R-enantiomer, this helix is additionally stabilized by a bifurcated hydrogen bond between the carbonyl function of the benzoyl group towards both phenyl groups of the molecule.Viktor MartensHelmar GörlsWolfgang ImhofInternational Union of Crystallographyarticlecrystal structureurethanescarbamatesc—h...o hydrogen bondsChemistryQD1-999ENActa Crystallographica Section E: Crystallographic Communications, Vol 77, Iss 11, Pp 1091-1094 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	crystal structure urethanes carbamates c—h...o hydrogen bonds Chemistry QD1-999
spellingShingle	crystal structure urethanes carbamates c—h...o hydrogen bonds Chemistry QD1-999 Viktor Martens Helmar Görls Wolfgang Imhof Crystal structure of 2-oxo-1,2-diphenylethyl diisopropylcarbamate
description	The title compound, C21H25NO3, crystallized as a racemic twin in the Sohnke space group P21. In the molecular structure of the title compound, both enantiomers show a highly similar conformation with the urethane function and the benzoyl group showing an almost perpendicular arrangement [the dihedral angle is 72.46 (8)° in the S-enantiomer and 76.21 (8)° in the R-enantiomer]. In the crystal structure, molecules of both enantiomers show infinite helical arrangements parallel to the b axis formed by weak C—H...O hydrogen bonds between the phenyl ring of the benzoyl group and the carbamate carbonyl group. In case of the R-enantiomer, this helix is additionally stabilized by a bifurcated hydrogen bond between the carbonyl function of the benzoyl group towards both phenyl groups of the molecule.
format	article
author	Viktor Martens Helmar Görls Wolfgang Imhof
author_facet	Viktor Martens Helmar Görls Wolfgang Imhof
author_sort	Viktor Martens
title	Crystal structure of 2-oxo-1,2-diphenylethyl diisopropylcarbamate
title_short	Crystal structure of 2-oxo-1,2-diphenylethyl diisopropylcarbamate
title_full	Crystal structure of 2-oxo-1,2-diphenylethyl diisopropylcarbamate
title_fullStr	Crystal structure of 2-oxo-1,2-diphenylethyl diisopropylcarbamate
title_full_unstemmed	Crystal structure of 2-oxo-1,2-diphenylethyl diisopropylcarbamate
title_sort	crystal structure of 2-oxo-1,2-diphenylethyl diisopropylcarbamate
publisher	International Union of Crystallography
publishDate	2021
url	https://doaj.org/article/46504dfa51f946948f8535a090ec13c1
work_keys_str_mv	AT viktormartens crystalstructureof2oxo12diphenylethyldiisopropylcarbamate AT helmargorls crystalstructureof2oxo12diphenylethyldiisopropylcarbamate AT wolfgangimhof crystalstructureof2oxo12diphenylethyldiisopropylcarbamate
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Crystal structure of 2-oxo-1,2-diphenylethyl diisopropylcarbamate

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