ABSTRACT
In the title compound, C18H13N3O2·H2O, the oxa-diazole ring forms dihedral angles 7.21â (10) and 21.25â (11)° with the quinoline and benzene rings, respectively. The crystal structure features O-Hâ¯N hydrogen bonds and is further consolidated by C-Hâ¯O hydrogen-bonding inter-actions involving the water molecule of hydration.
ABSTRACT
In the title hydrate, C19H15N3O3·H2O, the three aromatic groups in the quinoline derivative are close to coplanar: the central oxa-diazole fragment makes dihedral angles of 15.7â (2)° with the benzene ring and 5.30â (14)° with the quinoline ring system. In the crystal, the organic mol-ecules are connected with water mol-ecules by pairs of O-Hâ¯N hydrogen bonds involving the quinoline and oxa-diazole N atoms. The mol-ecules form stacks along the a axis, neighboring mol-ecules within each stack being related by inversion and the shortest distance between the centroids of the oxa-diazole and pyridine rings being 3.500â (2)â Å. Mol-ecules from neighboring stacks are linked by weak C-Hâ¯O hydrogen bonds, forming a three-dimensional structure.
ABSTRACT
In the crystal structure of the title compound, C(8)H(5)NO(4), essentially planar mol-ecules [largest deviation from the least-squares plane = 0.030â (2)â Å] form stacks along the a-axis direction. Intercentroid separations between overlapping benzene rings within the stack are 3.6594â (12)â Å and 3.8131â (12)â Å. Mol-ecules from neighboring stacks are linked by weak C-Hâ¯O hydrogen bonds into inversion dimers.