2-[4-(Piperidin-1-yl)-5H-chromeno[2,3-d]pyrimidin-2-yl]phenol.

ABSTRACT: In the title compound, C22H21N3O2, the pyrimidine ring is essentially planar [maximum deviation = 0.018?(2)?Å] and forms dihedral angles of 22.70?(8) and 0.97?(7)°, respectively, with the fused benzene ring and the hy-droxy-substituted benzene ring. The piperidine ring has a chair conformation and the pyran ring has a flattened twist-boat conformation. The hy-droxy group was refined as disordered over two sets of sites in a 0.702?(4):0.298?(4) ratio. The disorder corresponds to a rotation of approxomiately 180° about the C-C bond connecting the phenol group to the pyrimidine ring and hence, both the major and minor components of disorder form intra-molecular O-H?N hydrogen bonds. In the crystal, pairs of weak C-H?? inter-actions form inversion dimers. In addition, ?-? inter-actions are observed between the pyrimidine ring and the hy-droxy-substituted benzene ring [centroid-centroid separation = 3.739?(2)?Å].

SUBMITTER: Sharma N 

PROVIDER: S-EPMC3998607 | biostudies-literature | 2014 Apr

REPOSITORIES: biostudies-literature