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2-(2-Hydroxy-ethyl-amino)-3-phenyl-1-benzofuro[3,2-d]pyrimidin-4(3H)-one dichloro-methane hemisolvate.

ABSTRACT: In the title compound, C(18)H(15)N(3)O(3)·0.5CH(2)Cl(2), the fused ring benzofuro[2,3-d]pyrimidine system is essentially planar [maximum deviation 0.029?(1)?Å]. The planes of the pyrimidinone and phenyl rings are nearly perpendicular [dihedral angle = 87.50?(14)°]. The packing of the mol-ecules in the crystal structure is governed mainly by inter-molecular O-H?O and N-H?O hydrogen-bonding inter-actions and inter-molecular ?-? inter-actions between benzofuro[3,2-d]pyrimidine units [the interplanar distances are ca 3.4 and 3.5?Å, and the distances between adjacent ring centroids are in the range 3.64?(1)-3.76?(1)?Å]. The dichloromethane solvent molecule lies on a special position.

SUBMITTER: Zhang ZH

PROVIDER: S-EPMC2969675 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

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2-(2-Hydroxy-ethyl-amino)-3-phenyl-1-benzofuro[3,2-d]pyrimidin-4(3H)-one dichloro-methane hemisolvate.

Zhang Zheng-Hong ZH Liu Xiao-Ling XL Chen Long-Ju LJ

Acta crystallographica. Section E, Structure reports online 20090520 Pt 6

In the title compound, C(18)H(15)N(3)O(3)·0.5CH(2)Cl(2), the fused ring benzofuro[2,3-d]pyrimidine system is essentially planar [maximum deviation 0.029 (1) Å]. The planes of the pyrimidinone and phenyl rings are nearly perpendicular [dihedral angle = 87.50 (14)°]. The packing of the mol-ecules in the crystal structure is governed mainly by inter-molecular O-H⋯O and N-H⋯O hydrogen-bonding inter-actions and inter-molecular π-π inter-actions between benzofuro[3,2-d]pyrimidine units [the interplana ...[more]

PMID: 21583184

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