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In the title compound, C15H13F3O2S, the dihedral angle between the benzene rings is 79.5 (1)°. The ester group is twisted by 7.6 (1)° from the mean plane of the adjacent benzene ring. Disorder was modeled over two sites for one F atom of the trifluoromethyl group with an occupancy ratio of 0.54 (6):0.46 (6). In the crystal, molecules are linked via weak C—H
O hydrogen bonds, forming two-dimensional networks lying parallel to (101). The networks are linked via C—Hπ interactions, leading to the formation of a three-dimensional supramolecular structure.
O hydrogen bonds, forming two-dimensional networks lying parallel to (101). The networks are linked via C—Hπ interactions, leading to the formation of a three-dimensional supramolecular structure.organic compoundsOpen access
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In the title compound, C14H9F3O2S, the dihedral angle between the mean planes of the benzene rings is 88.7 (2)°. The carboxylic acid group is twisted by 13.6 (7)° from the mean plane of its attached aromatic ring. One of the F atoms of the trifluoromethyl group is disordered over two sites in a 0.61 (7):0.39 (7) ratio. In the crystal, inversion dimers linked by pairs of O—HO hydrogen bonds generate R22(8) loops. Weak C—HF interactions are also observed.
O hydrogen bonds generate R22(8) loops. Weak C—HF interactions are also observed.organic compoundsOpen access
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The title compound, C15H12N4O4·2H2O, crystallizes with two independent water molecules in the asymmetric unit. The dihedral angles between the mean planes of the benzene and pyrimidine rings and that of the pyrimidin-4-one ring are 85.1 (9) and 82.1 (1)°, respectively. The mean plane of the pyrimidine ring is twisted by 12.8 (8)° from that of the pyrimidin-4-one ring. The dihedral angles between the benzene ring and the mean planes of the pyrimidine and pyrimidin-4-one rings are 85.1 (9) and 82.1 (1)°, respectively.In the crystal, N–HO, O—HN and O—HO hydrogen bonds involving both water molecules are present; these link the molecules into a two-dimensional network parallel to (010). In addition, weak C—Hπ and π–π [centroid–centroid distance = 3.6183 (8) Å] interactions occur.
O, O—HN and O—HO hydrogen bonds involving both water molecules are present; these link the molecules into a two-dimensional network parallel to (010). In addition, weak C—Hπ and π–π [centroid–centroid distance = 3.6183 (8) Å] interactions occur.
