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Shishkina SV, Shishkin OV, Ukrainets IV, et al. Ethyl 5-[(1H-benzoimidazol-2-yl)amino-carbon-yl]-4-hydr-oxy-2-methyl-6-oxo-1-propyl-1,6-dihydro-pyridine-3-carboxyl-ate-ethanol-methanol (4/2/1). Acta Crystallogr Sect E Struct Rep Online. 2009;65:o1984doi: 10.1107/S1600536809026816.
Shishkina, S. V., Shishkin, O. V., Ukrainets, I. V., Tkach, A. A., & Grinevich, L. A. (2009). Ethyl 5-[(1H-benzoimidazol-2-yl)amino-carbon-yl]-4-hydr-oxy-2-methyl-6-oxo-1-propyl-1,6-dihydro-pyridine-3-carboxyl-ate-ethanol-methanol (4/2/1). Acta crystallographica. Section E, Structure reports online, 65o1984. https://doi.org/10.1107/S1600536809026816
Shishkina, Svetlana V, et al. "Ethyl 5-[(1H-benzoimidazol-2-yl)amino-carbon-yl]-4-hydr-oxy-2-methyl-6-oxo-1-propyl-1,6-dihydro-pyridine-3-carboxyl-ate-ethanol-methanol (4/2/1)." Acta crystallographica. Section E, Structure reports online vol. 65 (2009): o1984. doi: https://doi.org/10.1107/S1600536809026816
Shishkina SV, Shishkin OV, Ukrainets IV, Tkach AA, Grinevich LA. Ethyl 5-[(1H-benzoimidazol-2-yl)amino-carbon-yl]-4-hydr-oxy-2-methyl-6-oxo-1-propyl-1,6-dihydro-pyridine-3-carboxyl-ate-ethanol-methanol (4/2/1). Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 25;65:o1984. doi: 10.1107/S1600536809026816. PMID: 21583660; PMCID: PMC2977359.
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Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 25;65:o1984. doi: 10.1107/S1600536809026816.

Ethyl 5-[(1H-benzoimidazol-2-yl)amino-carbon-yl]-4-hydr-oxy-2-methyl-6-oxo-1-propyl-1,6-dihydro-pyridine-3-carboxyl-ate-ethanol-methanol (4/2/1).

Acta crystallographica. Section E, Structure reports online

Svetlana V Shishkina, Oleg V Shishkin, Igor V Ukrainets, Andrei A Tkach, Lina A Grinevich

PMID: 21583660 PMCID: PMC2977359 DOI: 10.1107/S1600536809026816

Abstract

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-carboxyl-ate mol-ecules, one ethanol mol-ecule and one methanol mol-ecule disordered about in a centre of symmetry. The pyridinone ring, the carbamide group and the bicyclic fragment in both independent mol-ecules are planar within 0.03 Å due to the formation of intra-molecular O-H⋯O and N-H⋯O hydrogen bonds. The formation of these latter inter-actions also causes the redistribution of the electron density within the hydroxy-pyridone 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-carboxyl-ate mol-ecules form layers parallel to (010), which are inter-linked through hydrogen bonds mediated by the bridging solvate mol-ecules. A terminal ethyl group in one of the mol-ecules is disordered over two sites of equally occupancy.

References

  1. Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22 - PubMed

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