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

Acta Crystallogr Sect E Struct Rep Online

Post-Graduate Department of Physics & Electronics, University of Jammu, Jammu Tawi 180 006, India.

Published: April 2014

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⋯π inter-actions form inversion dimers. In addition, π-π inter-actions are observed between the pyrimidine ring and the hy-droxy-substituted benzene ring [centroid-centroid separation = 3.739 (2) Å].

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998607PMC
http://dx.doi.org/10.1107/S1600536814005625DOI Listing

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