2-Hy-droxy-4-(prop-2-yn-yloxy)benz-alde-hyde.

ABSTRACT: The asymmetric unit of the title compound, C10H8O3, contains two independent mol-ecules, both of which are almost planar (r.m.s deviations for all non-H atoms of 0.044 and 0.053?Å). The dihedral angles between the benzene ring and the prop-1-yne group are 3.47?(1) and 3.07?(1)° in the two mol-ecules, and the prop-1-yne groups adopt extended conformations. In each mol-ecule, an intra-molecular O-H?O hydrogen bond involving the OH and aldehyde substituents forms an S(6) ring. In the crystal, mol-ecules are linked into cyclic centrosymmetric dimers via C-H?O hydrogen bonds, generating R2(2)(14) ring motifs. The crystal structure is further stabilized by aromatic ?-? stacking inter-actions between the benzene rings [centroid-centroid distances = 3.813?(2) and 3.843?(2)?Å].

SUBMITTER: Selvarani V 

PROVIDER: S-EPMC3588223 | biostudies-other | 2013 Jan

REPOSITORIES: biostudies-other