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Crystal structure of ethyl 6-chloro­methyl-2-oxo-4-(2,3,4-tri­meth­oxy­phen­yl)-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate

In the title compound, C(17)H(21)ClN(2)O(6), the di­hydro­pyrimidine ring adopts a flattened envelope conformation, with the sp (3)-hybridized C atom forming the flap. The dihedral angle between the least-squares planes of the benzene and di­hydro­pyrimidine rings is 88.09 (6)°. An intra­molecular C...

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Autores principales: Suresh, M., Padusha, M. Syed Ali, Novina, J. Josephine, Vasuki, G., Viswanathan, Vijayan, Velmurugan, Devadasan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518964/
https://www.ncbi.nlm.nih.gov/pubmed/26279876
http://dx.doi.org/10.1107/S2056989015011688
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author Suresh, M.
Padusha, M. Syed Ali
Novina, J. Josephine
Vasuki, G.
Viswanathan, Vijayan
Velmurugan, Devadasan
author_facet Suresh, M.
Padusha, M. Syed Ali
Novina, J. Josephine
Vasuki, G.
Viswanathan, Vijayan
Velmurugan, Devadasan
author_sort Suresh, M.
collection PubMed
description In the title compound, C(17)H(21)ClN(2)O(6), the di­hydro­pyrimidine ring adopts a flattened envelope conformation, with the sp (3)-hybridized C atom forming the flap. The dihedral angle between the least-squares planes of the benzene and di­hydro­pyrimidine rings is 88.09 (6)°. An intra­molecular C—H⋯O hydrogen bond generates an S(6) ring. In the crystal, mol­ecules are linked via pairs of N—H⋯O hydrogen bonds, forming inversion dimers with an R (2) (2)(8) ring motif, and the dimers are linked via further pairs of N—H⋯O hydrogen bonds, forming R (2) (2)(14) rings and chains of mol­ecules along [111]. Pairs of inversion-related chains are linked via weak C—H⋯π inter­actions.
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spelling pubmed-45189642015-08-14 Crystal structure of ethyl 6-chloro­methyl-2-oxo-4-(2,3,4-tri­meth­oxy­phen­yl)-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate Suresh, M. Padusha, M. Syed Ali Novina, J. Josephine Vasuki, G. Viswanathan, Vijayan Velmurugan, Devadasan Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(17)H(21)ClN(2)O(6), the di­hydro­pyrimidine ring adopts a flattened envelope conformation, with the sp (3)-hybridized C atom forming the flap. The dihedral angle between the least-squares planes of the benzene and di­hydro­pyrimidine rings is 88.09 (6)°. An intra­molecular C—H⋯O hydrogen bond generates an S(6) ring. In the crystal, mol­ecules are linked via pairs of N—H⋯O hydrogen bonds, forming inversion dimers with an R (2) (2)(8) ring motif, and the dimers are linked via further pairs of N—H⋯O hydrogen bonds, forming R (2) (2)(14) rings and chains of mol­ecules along [111]. Pairs of inversion-related chains are linked via weak C—H⋯π inter­actions. International Union of Crystallography 2015-06-20 /pmc/articles/PMC4518964/ /pubmed/26279876 http://dx.doi.org/10.1107/S2056989015011688 Text en © Suresh et al. 2015 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 Research Communications
Suresh, M.
Padusha, M. Syed Ali
Novina, J. Josephine
Vasuki, G.
Viswanathan, Vijayan
Velmurugan, Devadasan
Crystal structure of ethyl 6-chloro­methyl-2-oxo-4-(2,3,4-tri­meth­oxy­phen­yl)-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title Crystal structure of ethyl 6-chloro­methyl-2-oxo-4-(2,3,4-tri­meth­oxy­phen­yl)-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_full Crystal structure of ethyl 6-chloro­methyl-2-oxo-4-(2,3,4-tri­meth­oxy­phen­yl)-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_fullStr Crystal structure of ethyl 6-chloro­methyl-2-oxo-4-(2,3,4-tri­meth­oxy­phen­yl)-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_full_unstemmed Crystal structure of ethyl 6-chloro­methyl-2-oxo-4-(2,3,4-tri­meth­oxy­phen­yl)-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_short Crystal structure of ethyl 6-chloro­methyl-2-oxo-4-(2,3,4-tri­meth­oxy­phen­yl)-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_sort crystal structure of ethyl 6-chloro­methyl-2-oxo-4-(2,3,4-tri­meth­oxy­phen­yl)-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518964/
https://www.ncbi.nlm.nih.gov/pubmed/26279876
http://dx.doi.org/10.1107/S2056989015011688
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