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3,3′-(1,4-Phenylene)bis[2-(propylamino)benzofuro[3,2-d]pyrimidin-4(3H)-one] ethanol disolvate
The title compound, C(32)H(28)N(6)O(4)·2C(2)H(5)OH, consists of two 2-(propylamino)benzofuro[3,2-d]pyrimidin-4(3H)-one units connected, via one of the pyrimidine N atoms, to a bridging benzene ring in the 1,4 positions. Two ethanol solvent molecules are also present. The main molecule lies on a...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344434/ https://www.ncbi.nlm.nih.gov/pubmed/22590196 http://dx.doi.org/10.1107/S160053681201375X |
Sumario: | The title compound, C(32)H(28)N(6)O(4)·2C(2)H(5)OH, consists of two 2-(propylamino)benzofuro[3,2-d]pyrimidin-4(3H)-one units connected, via one of the pyrimidine N atoms, to a bridging benzene ring in the 1,4 positions. Two ethanol solvent molecules are also present. The main molecule lies on a center of symmetry located at the center of the benzene ring. The fused-ring system of the benzofuro[3,2-d]pyrimidine moiety is nearly planar (r.m.s. deviation = 0.016 Å) and forms a dihedral angle of 78.21 (7)° with the central benzene ring. The crystal structure features O—H⋯O and N—H⋯O interactions. The C atoms of the propylamino side chain in the main molecule and the ethyl group in the solvent molecule are disordered over two positions, with site-occupancy factors 0.34:0.66 and 0.42:0.58, respectively. |
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