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—HO hydrogen bonds lead to chains extending along the b-axis direction.
organic compounds
Open access
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.
organic compounds
Open access
In the title compound, C11H11NO3S2, the S—Csp2 bonds are shorter [1.746 (3) and 1.750 (2) Å] than the S—CH3 bonds [1.794 (3) and 1.806 (3) Å], which we attribute to d–π interactions between the S atoms and the C=C bond. The 1,1-bis(methylsulfanyl)-3-oxopropylene fragment and the 4-nitrophenyl group are both almost planar, with the largest deviations from their mean planes being 0.053 (1) and 0.017 (2) Å, respectively. The dihedral angle between the two planes is 35.07 (7)°. Molecules in the crystal are linked into a three-dimensional network by C—HS and C—HO hydrogen bonds.