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Ethyl 5-[(1H-benzoimidazol-2-yl)amino­carbon­yl]-4-hydr­oxy-2-methyl-6-oxo-1-propyl-1,6-dihydro­pyridine-3-carboxyl­ate–ethanol–methanol (4/2/1)

The asymmetric unit of the title compound, 4C(20)H(22)N(4)O(5)·2C(2)H(6)O·CH(4)O, contains two pyridine-3-carboxyl­ate mol­ecules, one ethanol mol­ecule and one methanol mol­ecule disordered about in a centre of symmetry. The pyridinone ring, the carbamide group and the bicyclic fragment in both ind...

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Autores principales: Shishkina, Svetlana V., Shishkin, Oleg V., Ukrainets, Igor V., Tkach, Andrei A., Grinevich, Lina A.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977359/
https://www.ncbi.nlm.nih.gov/pubmed/21583660
http://dx.doi.org/10.1107/S1600536809026816
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author Shishkina, Svetlana V.
Shishkin, Oleg V.
Ukrainets, Igor V.
Tkach, Andrei A.
Grinevich, Lina A.
author_facet Shishkina, Svetlana V.
Shishkin, Oleg V.
Ukrainets, Igor V.
Tkach, Andrei A.
Grinevich, Lina A.
author_sort Shishkina, Svetlana V.
collection PubMed
description The asymmetric unit of the title compound, 4C(20)H(22)N(4)O(5)·2C(2)H(6)O·CH(4)O, contains two pyridine-3-carboxyl­ate mol­ecules, one ethanol mol­ecule and one methanol mol­ecule disordered about in a centre of symmetry. The pyridinone ring, the carbamide group and the bicyclic fragment in both independent mol­ecules are planar within 0.03 Å due to the formation of intra­molecular O—H⋯O and N—H⋯O hydrogen bonds. The formation of these latter inter­actions also causes the redistribution of the electron density within the hydroxy­pyridone fragment, with the result that some bonds are elongated compared with values in the literature and some others are shorter. In the crystal phase, the pyridine-3-carboxyl­ate mol­ecules form layers parallel to (010), which are inter­linked through hydrogen bonds mediated by the bridging solvate mol­ecules. A terminal ethyl group in one of the mol­ecules is disordered over two sites of equally occupancy.
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spelling pubmed-29773592010-12-30 Ethyl 5-[(1H-benzoimidazol-2-yl)amino­carbon­yl]-4-hydr­oxy-2-methyl-6-oxo-1-propyl-1,6-dihydro­pyridine-3-carboxyl­ate–ethanol–methanol (4/2/1) Shishkina, Svetlana V. Shishkin, Oleg V. Ukrainets, Igor V. Tkach, Andrei A. Grinevich, Lina A. Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, 4C(20)H(22)N(4)O(5)·2C(2)H(6)O·CH(4)O, contains two pyridine-3-carboxyl­ate mol­ecules, one ethanol mol­ecule and one methanol mol­ecule disordered about in a centre of symmetry. The pyridinone ring, the carbamide group and the bicyclic fragment in both independent mol­ecules are planar within 0.03 Å due to the formation of intra­molecular O—H⋯O and N—H⋯O hydrogen bonds. The formation of these latter inter­actions also causes the redistribution of the electron density within the hydroxy­pyridone fragment, with the result that some bonds are elongated compared with values in the literature and some others are shorter. In the crystal phase, the pyridine-3-carboxyl­ate mol­ecules form layers parallel to (010), which are inter­linked through hydrogen bonds mediated by the bridging solvate mol­ecules. A terminal ethyl group in one of the mol­ecules is disordered over two sites of equally occupancy. International Union of Crystallography 2009-07-25 /pmc/articles/PMC2977359/ /pubmed/21583660 http://dx.doi.org/10.1107/S1600536809026816 Text en © Shishkina et al. 2009 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
Shishkina, Svetlana V.
Shishkin, Oleg V.
Ukrainets, Igor V.
Tkach, Andrei A.
Grinevich, Lina A.
Ethyl 5-[(1H-benzoimidazol-2-yl)amino­carbon­yl]-4-hydr­oxy-2-methyl-6-oxo-1-propyl-1,6-dihydro­pyridine-3-carboxyl­ate–ethanol–methanol (4/2/1)
title Ethyl 5-[(1H-benzoimidazol-2-yl)amino­carbon­yl]-4-hydr­oxy-2-methyl-6-oxo-1-propyl-1,6-dihydro­pyridine-3-carboxyl­ate–ethanol–methanol (4/2/1)
title_full Ethyl 5-[(1H-benzoimidazol-2-yl)amino­carbon­yl]-4-hydr­oxy-2-methyl-6-oxo-1-propyl-1,6-dihydro­pyridine-3-carboxyl­ate–ethanol–methanol (4/2/1)
title_fullStr Ethyl 5-[(1H-benzoimidazol-2-yl)amino­carbon­yl]-4-hydr­oxy-2-methyl-6-oxo-1-propyl-1,6-dihydro­pyridine-3-carboxyl­ate–ethanol–methanol (4/2/1)
title_full_unstemmed Ethyl 5-[(1H-benzoimidazol-2-yl)amino­carbon­yl]-4-hydr­oxy-2-methyl-6-oxo-1-propyl-1,6-dihydro­pyridine-3-carboxyl­ate–ethanol–methanol (4/2/1)
title_short Ethyl 5-[(1H-benzoimidazol-2-yl)amino­carbon­yl]-4-hydr­oxy-2-methyl-6-oxo-1-propyl-1,6-dihydro­pyridine-3-carboxyl­ate–ethanol–methanol (4/2/1)
title_sort ethyl 5-[(1h-benzoimidazol-2-yl)amino­carbon­yl]-4-hydr­oxy-2-methyl-6-oxo-1-propyl-1,6-dihydro­pyridine-3-carboxyl­ate–ethanol–methanol (4/2/1)
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977359/
https://www.ncbi.nlm.nih.gov/pubmed/21583660
http://dx.doi.org/10.1107/S1600536809026816
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