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Methyl 4-(4-chloro-phen-yl)-8-iodo-2-methyl-6-oxo-1,6-dihydro-4H-pyrimido[2,1-b]quinazoline-3-carboxyl-ate.

ABSTRACT: In the title compound, C20H15ClIN3O3, the dihedral angle between the quinazolinone ring system [r.m.s. deviation = 0.047?(2)?Å] and the pendant benzene ring is 82.63?(11)°. The mol-ecular conformation is stabilized by intra-molecular C-H?O inter-actions. In the crystal, the mol-ecules are linked by N-H?O hydrogen bonds into chains along the a-axis direction. Another set of chains propagating along [101] is formed due to inter-molecular I?Cl short contacts of 3.427?(1)?Å, thus giving layers parallel to (010). The layers are connected by C-H?? and ?-? inter-actions, the shortest distance between the centroids of aromatic rings being 3.8143?(16)?Å.

SUBMITTER: Nayak SK

PROVIDER: S-EPMC3588318 | biostudies-literature | 2013 Jan

REPOSITORIES: biostudies-literature

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Methyl 4-(4-chloro-phen-yl)-8-iodo-2-methyl-6-oxo-1,6-dihydro-4H-pyrimido[2,1-b]quinazoline-3-carboxyl-ate.

Nayak Susanta K SK Venugopala K N KN Odhav Bharti B

Acta crystallographica. Section E, Structure reports online 20121222 Pt 1

In the title compound, C20H15ClIN3O3, the dihedral angle between the quinazolinone ring system [r.m.s. deviation = 0.047 (2) Å] and the pendant benzene ring is 82.63 (11)°. The mol-ecular conformation is stabilized by intra-molecular C-H⋯O inter-actions. In the crystal, the mol-ecules are linked by N-H⋯O hydrogen bonds into chains along the a-axis direction. Another set of chains propagating along [101] is formed due to inter-molecular I⋯Cl short contacts of 3.427 (1) Å, thus giving layers paral ...[more]

PMID: 23476385

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