Cargando…

Synthesis and structure of ethyl 2-[(4-oxo-3-phenyl-3,4-di­hydro­quinazolin-2-yl)sulfan­yl]acetate

The title compound, C(18)H(16)N(2)O(3)S, was synthesized by reaction of 2-mercapto-3-phenyl­quinazolin-4(3H)-one with ethyl chloro­acetate. The quinazoline ring forms a dihedral angle of 86.83 (5)° with the phenyl ring. The terminal methyl group is disordered by a rotation of about 60° in a 0.531 (1...

Descripción completa

Detalles Bibliográficos
Autores principales: Nguyen Tien, Cong, Nguyen Tan, Quang, Pham Duc, Dung, Tran Hoang, Phuong, Nguyen Dang, Dat, Truong Minh, Luong, Van Meervelt, Luc
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7199254/
https://www.ncbi.nlm.nih.gov/pubmed/32431930
http://dx.doi.org/10.1107/S2056989020005071
_version_ 1783529120245743616
author Nguyen Tien, Cong
Nguyen Tan, Quang
Pham Duc, Dung
Tran Hoang, Phuong
Nguyen Dang, Dat
Truong Minh, Luong
Van Meervelt, Luc
author_facet Nguyen Tien, Cong
Nguyen Tan, Quang
Pham Duc, Dung
Tran Hoang, Phuong
Nguyen Dang, Dat
Truong Minh, Luong
Van Meervelt, Luc
author_sort Nguyen Tien, Cong
collection PubMed
description The title compound, C(18)H(16)N(2)O(3)S, was synthesized by reaction of 2-mercapto-3-phenyl­quinazolin-4(3H)-one with ethyl chloro­acetate. The quinazoline ring forms a dihedral angle of 86.83 (5)° with the phenyl ring. The terminal methyl group is disordered by a rotation of about 60° in a 0.531 (13): 0.469 (13) ratio. In the crystal, C—H⋯O hydrogen-bonding inter­actions result in the formation of columns running in the [010] direction. Two parallel columns further inter­act by C—H⋯O hydrogen bonds. The most important contributions to the surface contacts are from H⋯H (48.4%), C⋯H/H⋯C (21.5%) and O⋯H/H⋯O (18.7%) inter­actions, as concluded from a Hirshfeld analysis.
format Online
Article
Text
id pubmed-7199254
institution National Center for Biotechnology Information
language English
publishDate 2020
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-71992542020-05-19 Synthesis and structure of ethyl 2-[(4-oxo-3-phenyl-3,4-di­hydro­quinazolin-2-yl)sulfan­yl]acetate Nguyen Tien, Cong Nguyen Tan, Quang Pham Duc, Dung Tran Hoang, Phuong Nguyen Dang, Dat Truong Minh, Luong Van Meervelt, Luc Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(18)H(16)N(2)O(3)S, was synthesized by reaction of 2-mercapto-3-phenyl­quinazolin-4(3H)-one with ethyl chloro­acetate. The quinazoline ring forms a dihedral angle of 86.83 (5)° with the phenyl ring. The terminal methyl group is disordered by a rotation of about 60° in a 0.531 (13): 0.469 (13) ratio. In the crystal, C—H⋯O hydrogen-bonding inter­actions result in the formation of columns running in the [010] direction. Two parallel columns further inter­act by C—H⋯O hydrogen bonds. The most important contributions to the surface contacts are from H⋯H (48.4%), C⋯H/H⋯C (21.5%) and O⋯H/H⋯O (18.7%) inter­actions, as concluded from a Hirshfeld analysis. International Union of Crystallography 2020-04-17 /pmc/articles/PMC7199254/ /pubmed/32431930 http://dx.doi.org/10.1107/S2056989020005071 Text en © Nguyen Tien et al. 2020 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Nguyen Tien, Cong
Nguyen Tan, Quang
Pham Duc, Dung
Tran Hoang, Phuong
Nguyen Dang, Dat
Truong Minh, Luong
Van Meervelt, Luc
Synthesis and structure of ethyl 2-[(4-oxo-3-phenyl-3,4-di­hydro­quinazolin-2-yl)sulfan­yl]acetate
title Synthesis and structure of ethyl 2-[(4-oxo-3-phenyl-3,4-di­hydro­quinazolin-2-yl)sulfan­yl]acetate
title_full Synthesis and structure of ethyl 2-[(4-oxo-3-phenyl-3,4-di­hydro­quinazolin-2-yl)sulfan­yl]acetate
title_fullStr Synthesis and structure of ethyl 2-[(4-oxo-3-phenyl-3,4-di­hydro­quinazolin-2-yl)sulfan­yl]acetate
title_full_unstemmed Synthesis and structure of ethyl 2-[(4-oxo-3-phenyl-3,4-di­hydro­quinazolin-2-yl)sulfan­yl]acetate
title_short Synthesis and structure of ethyl 2-[(4-oxo-3-phenyl-3,4-di­hydro­quinazolin-2-yl)sulfan­yl]acetate
title_sort synthesis and structure of ethyl 2-[(4-oxo-3-phenyl-3,4-di­hydro­quinazolin-2-yl)sulfan­yl]acetate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7199254/
https://www.ncbi.nlm.nih.gov/pubmed/32431930
http://dx.doi.org/10.1107/S2056989020005071
work_keys_str_mv AT nguyentiencong synthesisandstructureofethyl24oxo3phenyl34dihydroquinazolin2ylsulfanylacetate
AT nguyentanquang synthesisandstructureofethyl24oxo3phenyl34dihydroquinazolin2ylsulfanylacetate
AT phamducdung synthesisandstructureofethyl24oxo3phenyl34dihydroquinazolin2ylsulfanylacetate
AT tranhoangphuong synthesisandstructureofethyl24oxo3phenyl34dihydroquinazolin2ylsulfanylacetate
AT nguyendangdat synthesisandstructureofethyl24oxo3phenyl34dihydroquinazolin2ylsulfanylacetate
AT truongminhluong synthesisandstructureofethyl24oxo3phenyl34dihydroquinazolin2ylsulfanylacetate
AT vanmeerveltluc synthesisandstructureofethyl24oxo3phenyl34dihydroquinazolin2ylsulfanylacetate