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Ethyl 3-(4-chloro-phen-yl)-2-(dipentyl-amino)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo-[3,2-d]pyrimidine-7-carboxyl-ate.

ABSTRACT: In the title compound, C(31)H(37)ClN(4)O(3), the fused rings of the pyrrolo-[3,2-d]pyrimidine system form a dihedral angle of 5.80?(11)°. The phenyl and benzene rings are twisted with respect to the mean plane of the pyrrolo-[3,2-d]pyrimidine system [maximum deviation = 0.077?(2)?Å], making dihedral angles of 61.05?(12) and 75.39?(10)°, respectively. The eth-oxy group is disordered over two positions with the site-occupancy ratio fixed at 0.54:0.46. In the crystal, mol-ecules are linked via C-H?O hydrogen bonds, forming a two-dimensional network lying parallel to the ab plane. There are also ?-? [centroid-centroid distances = 3.5954?(17) and 3.965?(2)?Å] and C-H?? inter-actions present.

SUBMITTER: He P 

PROVIDER: S-EPMC3393266 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

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Ethyl 3-(4-chloro-phen-yl)-2-(dipentyl-amino)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo-[3,2-d]pyrimidine-7-carboxyl-ate.

He Ping P   Wan Qin-Qin QQ   Liao Quan-Lei QL  

Acta crystallographica. Section E, Structure reports online 20120602 Pt 7

In the title compound, C(31)H(37)ClN(4)O(3), the fused rings of the pyrrolo-[3,2-d]pyrimidine system form a dihedral angle of 5.80 (11)°. The phenyl and benzene rings are twisted with respect to the mean plane of the pyrrolo-[3,2-d]pyrimidine system [maximum deviation = 0.077 (2) Å], making dihedral angles of 61.05 (12) and 75.39 (10)°, respectively. The eth-oxy group is disordered over two positions with the site-occupancy ratio fixed at 0.54:0.46. In the crystal, mol-ecules are linked via C-H⋯  ...[more]

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