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).

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.

SUBMITTER: Shishkina SV 

PROVIDER: S-EPMC2977359 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature