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The title compound, C16H11BrN2O2·H2O, exists in a trans conformation with respect to the N=C bond [1.2815 (14) Å] and the benzofuran ring system forms a dihedral angle of 2.96 (5)° with the benzene ring. In the crystal, the ketone O atom accepts two O—H
O and one C—HO hydrogen bond, and the water O atom accepts an N—HO interaction. Together, these lead to infinite layers lying parallel to (100).
O and one C—HO hydrogen bond, and the water O atom accepts an N—HO interaction. Together, these lead to infinite layers lying parallel to (100).organic compoundsOpen access
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The asymmetric unit of the title compound, C11H10N6O3S, contains two independent molecules, each of which is stabilized by an intramolecular N—HO hydrogen bond, forming an S(6) ring motif. In one molecule, the pyrazole ring forms a dihedral angle of 10.93 (14)° with the benzene ring. The corresponding dihedral angle in the other molecule is 7.03 (14)°. In the crystal, molecules are linked via pairs of (N,N)—HO bifurcated acceptor bonds which, together with C—HO hydrogen bonds, form sheets parallel to (001).
O hydrogen bond, forming an S(6) ring motif. In one molecule, the pyrazole ring forms a dihedral angle of 10.93 (14)° with the benzene ring. The corresponding dihedral angle in the other molecule is 7.03 (14)°. In the crystal, molecules are linked via pairs of (N,N)—HO bifurcated acceptor bonds which, together with C—HO hydrogen bonds, form sheets parallel to (001).organic compoundsOpen access
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The title compound, C16H11ClN2O2·H2O, exists in an E conformation with respect to the N=C bond. The benzofuran ring system forms a dihedral angle of 1.26 (4)° with the benzene ring. In the crystal, molecules are linked via (N,C)—HO bifurcated acceptor hydrogen bonds and (O,O,C)—HO trifurcated acceptor hydrogen bonds, forming layers parallel to the bc plane.
O bifurcated acceptor hydrogen bonds and (O,O,C)—HO trifurcated acceptor hydrogen bonds, forming layers parallel to the bc plane.organic compoundsOpen access
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The title compound, C13H8Br2ClNO3S, exhibits whole-molecule disorder over two orientations in a 0.805 (6):0.195 (6) ratio. The dihedral angles between the thiophene ring [maximum deviations = 0.017 (4) and 0.033 (9) Å for the major and minor components, respectively] and the chloro-substituted phenyl ring are 32.1 (5) (major component) and 26.3 (18)° (minor component). In the crystal, C—HCl and C—HO hydrogen bonds link the molecules into sheets lying parallel to the bc plane. Aromatic π–π stacking interactions [centroid–centroid distance = 3.550 (7) Å] are also observed.
Cl and C—HO hydrogen bonds link the molecules into sheets lying parallel to the bc plane. Aromatic π–π stacking interactions [centroid–centroid distance = 3.550 (7) Å] are also observed.
