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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).

Shishkina SV, Shishkin OV, Ukrainets IV, Tkach AA, Grinevich LA - Acta Crystallogr Sect E Struct Rep Online (2009)

Bottom Line: 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.

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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.

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Molecular view of the title compound with atomic labelling. All atoms are shown with displacement ellipsoids drawn at the 50% probability level. Hydrogen atoms and minor components of disordered ethyl group in molecule A omitted for clarity.
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Fap1: Molecular view of the title compound with atomic labelling. All atoms are shown with displacement ellipsoids drawn at the 50% probability level. Hydrogen atoms and minor components of disordered ethyl group in molecule A omitted for clarity.


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).

Shishkina SV, Shishkin OV, Ukrainets IV, Tkach AA, Grinevich LA - Acta Crystallogr Sect E Struct Rep Online (2009)

Molecular view of the title compound with atomic labelling. All atoms are shown with displacement ellipsoids drawn at the 50% probability level. Hydrogen atoms and minor components of disordered ethyl group in molecule A omitted for clarity.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2977359&req=5

Fap1: Molecular view of the title compound with atomic labelling. All atoms are shown with displacement ellipsoids drawn at the 50% probability level. Hydrogen atoms and minor components of disordered ethyl group in molecule A omitted for clarity.
Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

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.

No MeSH data available.


Related in: MedlinePlus