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Crystal structure of 2-acetyl-5-(3-methoxyphenyl)-3,7-dimethyl-5H-1,3-thiazolo[3,2-a]pyrimidine-6-carboxylate

In the title mol­ecule, C(20)H(22)N(2)O(4)S, the pyrimidine ring is in a flattened half-chair conformation and the 3-meth­oxyphenyl substituent is in an axial arrangement. The thia­zole ring forms a dihedral angle of 81.3 (1)° with the benzene ring. In the crystal, weak C—H⋯S inter­actions link mol­...

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Autores principales: Prasad, N. L., Krishnamurthy, M. S., Nagarajaiah, H., Begum, Noor Shahina
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257338/
https://www.ncbi.nlm.nih.gov/pubmed/25484830
http://dx.doi.org/10.1107/S1600536814023162
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author Prasad, N. L.
Krishnamurthy, M. S.
Nagarajaiah, H.
Begum, Noor Shahina
author_facet Prasad, N. L.
Krishnamurthy, M. S.
Nagarajaiah, H.
Begum, Noor Shahina
author_sort Prasad, N. L.
collection PubMed
description In the title mol­ecule, C(20)H(22)N(2)O(4)S, the pyrimidine ring is in a flattened half-chair conformation and the 3-meth­oxyphenyl substituent is in an axial arrangement. The thia­zole ring forms a dihedral angle of 81.3 (1)° with the benzene ring. In the crystal, weak C—H⋯S inter­actions link mol­ecules into chains along [001]. In addition, there are π–π inter­actions between inversion-related thia­zole rings with a centroid–centroid distance of 3.529 (2) Å. The ethyl group was refined as disordered over two sets of sites with an occupancy ratio of 0.52 (3):0.48 (2).
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spelling pubmed-42573382014-12-05 Crystal structure of 2-acetyl-5-(3-methoxyphenyl)-3,7-dimethyl-5H-1,3-thiazolo[3,2-a]pyrimidine-6-carboxylate Prasad, N. L. Krishnamurthy, M. S. Nagarajaiah, H. Begum, Noor Shahina Acta Crystallogr Sect E Struct Rep Online Data Reports In the title mol­ecule, C(20)H(22)N(2)O(4)S, the pyrimidine ring is in a flattened half-chair conformation and the 3-meth­oxyphenyl substituent is in an axial arrangement. The thia­zole ring forms a dihedral angle of 81.3 (1)° with the benzene ring. In the crystal, weak C—H⋯S inter­actions link mol­ecules into chains along [001]. In addition, there are π–π inter­actions between inversion-related thia­zole rings with a centroid–centroid distance of 3.529 (2) Å. The ethyl group was refined as disordered over two sets of sites with an occupancy ratio of 0.52 (3):0.48 (2). International Union of Crystallography 2014-10-29 /pmc/articles/PMC4257338/ /pubmed/25484830 http://dx.doi.org/10.1107/S1600536814023162 Text en © Prasad et al. 2014 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 Data Reports
Prasad, N. L.
Krishnamurthy, M. S.
Nagarajaiah, H.
Begum, Noor Shahina
Crystal structure of 2-acetyl-5-(3-methoxyphenyl)-3,7-dimethyl-5H-1,3-thiazolo[3,2-a]pyrimidine-6-carboxylate
title Crystal structure of 2-acetyl-5-(3-methoxyphenyl)-3,7-dimethyl-5H-1,3-thiazolo[3,2-a]pyrimidine-6-carboxylate
title_full Crystal structure of 2-acetyl-5-(3-methoxyphenyl)-3,7-dimethyl-5H-1,3-thiazolo[3,2-a]pyrimidine-6-carboxylate
title_fullStr Crystal structure of 2-acetyl-5-(3-methoxyphenyl)-3,7-dimethyl-5H-1,3-thiazolo[3,2-a]pyrimidine-6-carboxylate
title_full_unstemmed Crystal structure of 2-acetyl-5-(3-methoxyphenyl)-3,7-dimethyl-5H-1,3-thiazolo[3,2-a]pyrimidine-6-carboxylate
title_short Crystal structure of 2-acetyl-5-(3-methoxyphenyl)-3,7-dimethyl-5H-1,3-thiazolo[3,2-a]pyrimidine-6-carboxylate
title_sort crystal structure of 2-acetyl-5-(3-methoxyphenyl)-3,7-dimethyl-5h-1,3-thiazolo[3,2-a]pyrimidine-6-carboxylate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257338/
https://www.ncbi.nlm.nih.gov/pubmed/25484830
http://dx.doi.org/10.1107/S1600536814023162
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