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Crystal structure and Hirshfeld surface analysis of 1-(2-amino-4-methyl-1,3-thia­zol-5-yl)ethan-1-one

In the title compound, C(6)H(8)N(2)OS, all atoms except for the methyl H atoms are coplanar, with a maximum deviation of 0.026 (4) Å. In the crystal, pairs of mol­ecules are linked by N—H⋯N hydrogen bonds, forming R (2) (2)(8) ring motifs. Dimers are connected by N—H⋯O hydrogen bonds, forming layers...

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Autores principales: Huseynov, Elnur Z., Akkurt, Mehmet, Brito, Ivan, Bhattarai, Ajaya, Rzayev, Rovnag M., Asadov, Khammed A., Maharramov, Abel M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10561208/
https://www.ncbi.nlm.nih.gov/pubmed/37817958
http://dx.doi.org/10.1107/S2056989023007181
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author Huseynov, Elnur Z.
Akkurt, Mehmet
Brito, Ivan
Bhattarai, Ajaya
Rzayev, Rovnag M.
Asadov, Khammed A.
Maharramov, Abel M.
author_facet Huseynov, Elnur Z.
Akkurt, Mehmet
Brito, Ivan
Bhattarai, Ajaya
Rzayev, Rovnag M.
Asadov, Khammed A.
Maharramov, Abel M.
author_sort Huseynov, Elnur Z.
collection PubMed
description In the title compound, C(6)H(8)N(2)OS, all atoms except for the methyl H atoms are coplanar, with a maximum deviation of 0.026 (4) Å. In the crystal, pairs of mol­ecules are linked by N—H⋯N hydrogen bonds, forming R (2) (2)(8) ring motifs. Dimers are connected by N—H⋯O hydrogen bonds, forming layers parallel to the (102) plane. Consolidating the mol­ecular packing, these layers are connected by C—H⋯π inter­actions between the center of the 1,3-thia­zole ring and the H atom of the methyl group attached to it, as well as C=O⋯π inter­actions between the center of the 1,3-thia­zole ring and the O atom of the carboxyl group. According to a Hirshfeld surface study, H⋯H (37.6%), O⋯H/H⋯O (16.8%), S⋯H/H⋯S (15.4%), N⋯H/H⋯N (13.0%) and C⋯H/H⋯C (7.6%) inter­actions are the most significant contributors to the crystal packing.
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spelling pubmed-105612082023-10-10 Crystal structure and Hirshfeld surface analysis of 1-(2-amino-4-methyl-1,3-thia­zol-5-yl)ethan-1-one Huseynov, Elnur Z. Akkurt, Mehmet Brito, Ivan Bhattarai, Ajaya Rzayev, Rovnag M. Asadov, Khammed A. Maharramov, Abel M. Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(6)H(8)N(2)OS, all atoms except for the methyl H atoms are coplanar, with a maximum deviation of 0.026 (4) Å. In the crystal, pairs of mol­ecules are linked by N—H⋯N hydrogen bonds, forming R (2) (2)(8) ring motifs. Dimers are connected by N—H⋯O hydrogen bonds, forming layers parallel to the (102) plane. Consolidating the mol­ecular packing, these layers are connected by C—H⋯π inter­actions between the center of the 1,3-thia­zole ring and the H atom of the methyl group attached to it, as well as C=O⋯π inter­actions between the center of the 1,3-thia­zole ring and the O atom of the carboxyl group. According to a Hirshfeld surface study, H⋯H (37.6%), O⋯H/H⋯O (16.8%), S⋯H/H⋯S (15.4%), N⋯H/H⋯N (13.0%) and C⋯H/H⋯C (7.6%) inter­actions are the most significant contributors to the crystal packing. International Union of Crystallography 2023-09-08 /pmc/articles/PMC10561208/ /pubmed/37817958 http://dx.doi.org/10.1107/S2056989023007181 Text en © Huseynov et al. 2023 https://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.
spellingShingle Research Communications
Huseynov, Elnur Z.
Akkurt, Mehmet
Brito, Ivan
Bhattarai, Ajaya
Rzayev, Rovnag M.
Asadov, Khammed A.
Maharramov, Abel M.
Crystal structure and Hirshfeld surface analysis of 1-(2-amino-4-methyl-1,3-thia­zol-5-yl)ethan-1-one
title Crystal structure and Hirshfeld surface analysis of 1-(2-amino-4-methyl-1,3-thia­zol-5-yl)ethan-1-one
title_full Crystal structure and Hirshfeld surface analysis of 1-(2-amino-4-methyl-1,3-thia­zol-5-yl)ethan-1-one
title_fullStr Crystal structure and Hirshfeld surface analysis of 1-(2-amino-4-methyl-1,3-thia­zol-5-yl)ethan-1-one
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of 1-(2-amino-4-methyl-1,3-thia­zol-5-yl)ethan-1-one
title_short Crystal structure and Hirshfeld surface analysis of 1-(2-amino-4-methyl-1,3-thia­zol-5-yl)ethan-1-one
title_sort crystal structure and hirshfeld surface analysis of 1-(2-amino-4-methyl-1,3-thia­zol-5-yl)ethan-1-one
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10561208/
https://www.ncbi.nlm.nih.gov/pubmed/37817958
http://dx.doi.org/10.1107/S2056989023007181
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