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The title molecule, C9H7ClN4OS, is almost planar, with an r.m.s. deviation of 0.034 (2) Å for the mean plane through all the non-H atoms. Intramolecular N—H
O and N—HN hydrogen bonds form S(6) and S(5) ring motifs, respectively. In the crystal, molecules are assembled into inversion dimers through pairs of co-operative N—HCl interactions. These dimers are connected along the b axis by N—HO and N—HS hydrogen bonds, generating layers parallel to (103). The layers are further connected along the a axis into a three-dimensional network, through weak π–π stacking interactions [centroid–centroid distance = 3.849 (2) Å].
O and N—HN hydrogen bonds form S(6) and S(5) ring motifs, respectively. In the crystal, molecules are assembled into inversion dimers through pairs of co-operative N—HCl interactions. These dimers are connected along the b axis by N—HO and N—HS hydrogen bonds, generating layers parallel to (103). The layers are further connected along the a axis into a three-dimensional network, through weak π–π stacking interactions [centroid–centroid distance = 3.849 (2) Å].organic compoundsOpen access
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In the title compound, C17H18Cl3NO5·H2O, intramolecular N—HO and C—HCl hydrogen bonds form S(6) and S(5) ring motifs, respectively. The chiral organic molecule is connected to the solvent water molecule by a short O—HO hydrogen bond. In the crystal, a weak C—HCl interaction connects the organic molecules along [100] while the water molecules act as bridges between the organic molecules in both the [100] and [010] directions, generating layers parallel to the ab plane.
O and C—HCl hydrogen bonds form S(6) and S(5) ring motifs, respectively. The chiral organic molecule is connected to the solvent water molecule by a short O—HO hydrogen bond. In the crystal, a weak C—HCl interaction connects the organic molecules along [100] while the water molecules act as bridges between the organic molecules in both the [100] and [010] directions, generating layers parallel to the ab plane.organic compoundsOpen access
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In the crystal structure of the title compound, C28H23F3N4S·CHCl3, the chloroform solvate molecules connect the pyrimidine molecules into chains along [101] through weak C—HN and C—HCl hydrogen-bond interactions. There are further connections between adjacent chains through FCl halogen contacts of 3.185 (3) Å, with the –CF3 group presenting a significant short FF interchain distance of 2.712 (4) Å. The five-membered pyrazole ring is approximately planar (r.m.s. deviation = 0.050 Å). The pyrimidine ring makes dihedral angles of 84.15 (8) and 4.56 (8)° with the benzene rings.
N and C—HCl hydrogen-bond interactions. There are further connections between adjacent chains through FCl halogen contacts of 3.185 (3) Å, with the –CF3 group presenting a significant short FF interchain distance of 2.712 (4) Å. The five-membered pyrazole ring is approximately planar (r.m.s. deviation = 0.050 Å). The pyrimidine ring makes dihedral angles of 84.15 (8) and 4.56 (8)° with the benzene rings.
