2-Methyl-4-oxo-6,7,8,9-tetrahydro­thieno[2′,3′:4,5]pyrimidino­[1,2-a]pyridine-3-carboxylic acid

There are two independent mol­ecules in the asymmetric unit of the title compound, C(12)H(12)N(2)O(3)S. With the exception of the methyl­ene groups, a mean plane fitted through all non-H atoms of each mol­ecule has an r.m.s. deviation of 0.035 Å for one mol­ecule and 0.120 Å for the second. In one o...

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Autores principales: Elmuradov, Burkhon Zh., Bozorov, Khurshed A., Okmanov, Rasul Ya., Tashkhodjaev, Bakhodir, Shakhidoyatov, Khusnutdin M.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099994/
https://www.ncbi.nlm.nih.gov/pubmed/21754108
http://dx.doi.org/10.1107/S1600536811007902
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author Elmuradov, Burkhon Zh.
Bozorov, Khurshed A.
Okmanov, Rasul Ya.
Tashkhodjaev, Bakhodir
Shakhidoyatov, Khusnutdin M.
author_facet Elmuradov, Burkhon Zh.
Bozorov, Khurshed A.
Okmanov, Rasul Ya.
Tashkhodjaev, Bakhodir
Shakhidoyatov, Khusnutdin M.
author_sort Elmuradov, Burkhon Zh.
collection PubMed
description There are two independent mol­ecules in the asymmetric unit of the title compound, C(12)H(12)N(2)O(3)S. With the exception of the methyl­ene groups, a mean plane fitted through all non-H atoms of each mol­ecule has an r.m.s. deviation of 0.035 Å for one mol­ecule and 0.120 Å for the second. In one of the independent mol­ecules, the methyl­ene groups was refined using a disorder model with an occupancy ratio of 0.53:0.47 (14). Each molecule features an intra­molecular O—H⋯O hydrogen bond, which generates an S(7) ring.
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spelling pubmed-30999942011-07-13 2-Methyl-4-oxo-6,7,8,9-tetrahydro­thieno[2′,3′:4,5]pyrimidino­[1,2-a]pyridine-3-carboxylic acid Elmuradov, Burkhon Zh. Bozorov, Khurshed A. Okmanov, Rasul Ya. Tashkhodjaev, Bakhodir Shakhidoyatov, Khusnutdin M. Acta Crystallogr Sect E Struct Rep Online Organic Papers There are two independent mol­ecules in the asymmetric unit of the title compound, C(12)H(12)N(2)O(3)S. With the exception of the methyl­ene groups, a mean plane fitted through all non-H atoms of each mol­ecule has an r.m.s. deviation of 0.035 Å for one mol­ecule and 0.120 Å for the second. In one of the independent mol­ecules, the methyl­ene groups was refined using a disorder model with an occupancy ratio of 0.53:0.47 (14). Each molecule features an intra­molecular O—H⋯O hydrogen bond, which generates an S(7) ring. International Union of Crystallography 2011-03-09 /pmc/articles/PMC3099994/ /pubmed/21754108 http://dx.doi.org/10.1107/S1600536811007902 Text en © Elmuradov et al. 2011 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
Elmuradov, Burkhon Zh.
Bozorov, Khurshed A.
Okmanov, Rasul Ya.
Tashkhodjaev, Bakhodir
Shakhidoyatov, Khusnutdin M.
2-Methyl-4-oxo-6,7,8,9-tetrahydro­thieno[2′,3′:4,5]pyrimidino­[1,2-a]pyridine-3-carboxylic acid
title 2-Methyl-4-oxo-6,7,8,9-tetrahydro­thieno[2′,3′:4,5]pyrimidino­[1,2-a]pyridine-3-carboxylic acid
title_full 2-Methyl-4-oxo-6,7,8,9-tetrahydro­thieno[2′,3′:4,5]pyrimidino­[1,2-a]pyridine-3-carboxylic acid
title_fullStr 2-Methyl-4-oxo-6,7,8,9-tetrahydro­thieno[2′,3′:4,5]pyrimidino­[1,2-a]pyridine-3-carboxylic acid
title_full_unstemmed 2-Methyl-4-oxo-6,7,8,9-tetrahydro­thieno[2′,3′:4,5]pyrimidino­[1,2-a]pyridine-3-carboxylic acid
title_short 2-Methyl-4-oxo-6,7,8,9-tetrahydro­thieno[2′,3′:4,5]pyrimidino­[1,2-a]pyridine-3-carboxylic acid
title_sort 2-methyl-4-oxo-6,7,8,9-tetrahydro­thieno[2′,3′:4,5]pyrimidino­[1,2-a]pyridine-3-carboxylic acid
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099994/
https://www.ncbi.nlm.nih.gov/pubmed/21754108
http://dx.doi.org/10.1107/S1600536811007902
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