RESUMEN
In the mol-ecule of the title compound, C(7)H(8)NO(2) (+)·Cl(-)·H(2)O, an intra-molecular N-Hâ¯O hydrogen bond results in the formation of a non-planar six-membered ring adopting a flattened boat conformation. In the crystal structure, inter-molecular O-Hâ¯O and N-Hâ¯Cl hydrogen bonds link the mol-ecules. There is a C=Oâ¯π contact between the carbonyl unit and the centroid of the benzene ring. There is a C=Oâ¯π contact [Câ¯Cg = 3.5802â (18), C-Oâ¯Cg = 89â (1)°] between the carbonyl unit and the centroid of the benzene ring.
RESUMEN
In the mol-ecule of the title compound, C(13)H(10)ClNO, the benzene and pyrrole rings are oriented at a dihedral angle of 7.37â (12)°. In the crystal structure, inter-molecular N-Hâ¯O hydrogen bonds link the mol-ecules into centrosymmetric R(2) (2)(10) dimers. There are C-Hâ¯π inter-actions between benzene and pyrrole rings and a benzene C-H group. A weak π-π inter-action between the pyrrole rings [centroid-centroid distance 3.8515â (11)â Å] further stabilizes the structure. There is also a π inter-action between the pyrrole ring and the carbonyl group, with a carbon-centroid distance of 3.4825â (18)â Å.
RESUMEN
Mol-ecules of the title compound, C(14)H(10)FN(3)O, are essentially planar and in the crystal structure they form dimers via hydrogen bonds, involving pyrimidinyl N atoms and amino H atoms, about inversion centers. The centroids of the furyl and pyrimidinyl rings are separated by 3.489â (2)Å, indicating π-π stacking inter-actions.