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organic compounds
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In the title compound, C13H15ClN2O, there are two crystallographically independent but conformationally similar (E)-molecules in the asymmetric unit [dihedral angles between the phenyl ring and a common planar fragment of the 1,3-diazepane moiety = 47.34 (16) and 48.00 (16)°]. The seven-membered ring system adopts a chair conformation in both molecules. In the crystal, N—H
O hydrogen bonds lead to chains extending along the b-axis direction.
O hydrogen bonds lead to chains extending along the b-axis direction.organic compoundsOpen access
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The asymmetric unit of the title compound, C19H19N3O4, contains two molecules with very few conformational differences; a C atom in the pyrimidine ring in one of the molecules is disordered in a 0.688 (15):0.312 (15) ratio. In both molecules, the fused pyridine and pyrimidine rings adopt half-chair conformations. The dihedral angles between the furan and benzene rings are 81.00 (13) and 84.99 (10)° in the two molecules. The molecular structure is consolidated by intramolecular N—HO hydrogen bonding. In the crystal, C—HO hydrogen bonds connect the molecules into a three-dimensional network.
O hydrogen bonding. In the crystal, C—HO hydrogen bonds connect the molecules into a three-dimensional network.
