Ethyl 2-(3-methyl-5-sulfanyl­idene-4,5-dihydro-1H-1,2,4-triazol-4-yl)acetate

The title compound, C(7)H(11)N(3)O(2)S, exists in the 5-thioxo tautomeric form. The 1,2,4-triazoline ring is essentially planar, with a maximum deviation of 0.010 (2) Å for the substituted N atom. The ethyl acetate substituent is almost planar, with a maximum deviation of 0.061 (4) Å for the methyl­...

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Autores principales: Karczmarzyk, Zbigniew, Pitucha, Monika, Wysocki, Waldemar, Fruziński, Andrzej, Olender, Ewa
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588816/
https://www.ncbi.nlm.nih.gov/pubmed/23468781
http://dx.doi.org/10.1107/S1600536812044716
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author Karczmarzyk, Zbigniew
Pitucha, Monika
Wysocki, Waldemar
Fruziński, Andrzej
Olender, Ewa
author_facet Karczmarzyk, Zbigniew
Pitucha, Monika
Wysocki, Waldemar
Fruziński, Andrzej
Olender, Ewa
author_sort Karczmarzyk, Zbigniew
collection PubMed
description The title compound, C(7)H(11)N(3)O(2)S, exists in the 5-thioxo tautomeric form. The 1,2,4-triazoline ring is essentially planar, with a maximum deviation of 0.010 (2) Å for the substituted N atom. The ethyl acetate substituent is almost planar, with a maximum deviation of 0.061 (4) Å for the methyl­ene C atom of the eth­oxy group. The angle between the mean plane of this substituent and the mean plane of the 1,2,4-triazoline ring is 89.74 (8)°. In the crystal, mol­ecules are linked by a combination of N—H⋯S, C—H⋯N and C—H⋯O hydrogen bonds into chains parallel to [100].
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spelling pubmed-35888162013-03-06 Ethyl 2-(3-methyl-5-sulfanyl­idene-4,5-dihydro-1H-1,2,4-triazol-4-yl)acetate Karczmarzyk, Zbigniew Pitucha, Monika Wysocki, Waldemar Fruziński, Andrzej Olender, Ewa Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(7)H(11)N(3)O(2)S, exists in the 5-thioxo tautomeric form. The 1,2,4-triazoline ring is essentially planar, with a maximum deviation of 0.010 (2) Å for the substituted N atom. The ethyl acetate substituent is almost planar, with a maximum deviation of 0.061 (4) Å for the methyl­ene C atom of the eth­oxy group. The angle between the mean plane of this substituent and the mean plane of the 1,2,4-triazoline ring is 89.74 (8)°. In the crystal, mol­ecules are linked by a combination of N—H⋯S, C—H⋯N and C—H⋯O hydrogen bonds into chains parallel to [100]. International Union of Crystallography 2012-11-03 /pmc/articles/PMC3588816/ /pubmed/23468781 http://dx.doi.org/10.1107/S1600536812044716 Text en © Karczmarzyk et al. 2012 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 Organic Papers
Karczmarzyk, Zbigniew
Pitucha, Monika
Wysocki, Waldemar
Fruziński, Andrzej
Olender, Ewa
Ethyl 2-(3-methyl-5-sulfanyl­idene-4,5-dihydro-1H-1,2,4-triazol-4-yl)acetate
title Ethyl 2-(3-methyl-5-sulfanyl­idene-4,5-dihydro-1H-1,2,4-triazol-4-yl)acetate
title_full Ethyl 2-(3-methyl-5-sulfanyl­idene-4,5-dihydro-1H-1,2,4-triazol-4-yl)acetate
title_fullStr Ethyl 2-(3-methyl-5-sulfanyl­idene-4,5-dihydro-1H-1,2,4-triazol-4-yl)acetate
title_full_unstemmed Ethyl 2-(3-methyl-5-sulfanyl­idene-4,5-dihydro-1H-1,2,4-triazol-4-yl)acetate
title_short Ethyl 2-(3-methyl-5-sulfanyl­idene-4,5-dihydro-1H-1,2,4-triazol-4-yl)acetate
title_sort ethyl 2-(3-methyl-5-sulfanyl­idene-4,5-dihydro-1h-1,2,4-triazol-4-yl)acetate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588816/
https://www.ncbi.nlm.nih.gov/pubmed/23468781
http://dx.doi.org/10.1107/S1600536812044716
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AT wysockiwaldemar ethyl23methyl5sulfanylidene45dihydro1h124triazol4ylacetate
AT fruzinskiandrzej ethyl23methyl5sulfanylidene45dihydro1h124triazol4ylacetate
AT olenderewa ethyl23methyl5sulfanylidene45dihydro1h124triazol4ylacetate

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