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N-[3-Chloro-4-(3-fluoro-benz-yloxy)phen-yl]-6-iodo-quinazolin-4-amine.

ABSTRACT: In the title mol-ecule, C(21)H(14)ClFIN(3)O, the bicyclic ring system has a twisted conformation; the two fused rings form a dihedral angle of 4.5?(1)°. The dihedral angles between the fused ring system and the benzene rings are 27.3?(6) and 5.3?(5)° while the dihedral angle between the benzene rings is 22.0?(5)°. In the crystal structure, weak inter-molecular N-H?N hydrogen bonds link the mol-ecules into chains propagating in [100]. A short inter-molecular distance of 3.806?(3)?Å between the centroids of the fluorobenzene and iodobenzene rings suggests the existence of ?-? stacking inter-actions.

SUBMITTER: Cai ZQ 

PROVIDER: S-EPMC3006786 | biostudies-literature | 2010 Jun

REPOSITORIES: biostudies-literature

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N-[3-Chloro-4-(3-fluoro-benz-yloxy)phen-yl]-6-iodo-quinazolin-4-amine.

Cai Zhi-Qiang ZQ   Liu Jing-Guo JG   Zhou Wei-Wei WW   Li Yi-Liang YL  

Acta crystallographica. Section E, Structure reports online 20100626 Pt 7

In the title mol-ecule, C(21)H(14)ClFIN(3)O, the bicyclic ring system has a twisted conformation; the two fused rings form a dihedral angle of 4.5 (1)°. The dihedral angles between the fused ring system and the benzene rings are 27.3 (6) and 5.3 (5)° while the dihedral angle between the benzene rings is 22.0 (5)°. In the crystal structure, weak inter-molecular N-H⋯N hydrogen bonds link the mol-ecules into chains propagating in [100]. A short inter-molecular distance of 3.806 (3) Å between the ce  ...[more]

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