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 hydroxy-substituted benzene ring. The piperidine ring has a chair conformation and the pyran ring has a flattened twist-boat conformation. The hydroxy 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 intramolecular O—H⋯N hydrogen bonds. In the crystal, pairs of weak C—H⋯π interactions form inversion dimers. In addition, π–π interactions are observed between the pyrimidine ring and the hydroxy-substituted benzene ring [centroid–centroid separation = 3.739 (2) Å].
Highlights
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 hydroxy-substituted benzene ring
The hydroxy 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 both the major and minor components of disorder form intramolecular O—H N hydrogen bonds
Summary
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 hydroxy-substituted benzene ring. The hydroxy 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 both the major and minor components of disorder form intramolecular O—H N hydrogen bonds. Pairs of weak C—H interactions form inversion dimers. – interactions are observed between the pyrimidine ring and the hydroxy-substituted benzene ring [centroid–.
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