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2-(4-Bromo-phen-yl)-N-[3-(1H-imidazol-1-yl)prop-yl]quinazolin-4-amine.

ABSTRACT: In the title compound, C(20)H(18)BrN(5), the bromo-phenyl-substituted quinazoline unit is essentially planar [maximum deviation = 0.098?(3)?Å] and makes a dihedral angle of 56.04?(14)° with the imidazole ring. In the crystal, mol-ecules are associated by pairs of N-H?N hydrogen bonds to form inversion dimers. All the quinazoline planar systems are oriented almost perpendicular to the [110] direction, making ?-? inter-actions possible between adjacent dimers [centroid-centroid distances = 3.7674?(16) and 3.7612?(17)?Å]. There are also a number of C-H?? inter-actions present. The crystal is a nonmerohedral twin, with a minor twin fraction of 0.47.

SUBMITTER: Perez-Fehrmann M 

PROVIDER: S-EPMC3394037 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

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2-(4-Bromo-phen-yl)-N-[3-(1H-imidazol-1-yl)prop-yl]quinazolin-4-amine.

Pérez-Fehrmann Marcia M   Kesternich Victor V   Verdugo Felipe F   Christen Philippe P   Besnard Céline C  

Acta crystallographica. Section E, Structure reports online 20120630 Pt 7

In the title compound, C(20)H(18)BrN(5), the bromo-phenyl-substituted quinazoline unit is essentially planar [maximum deviation = 0.098 (3) Å] and makes a dihedral angle of 56.04 (14)° with the imidazole ring. In the crystal, mol-ecules are associated by pairs of N-H⋯N hydrogen bonds to form inversion dimers. All the quinazoline planar systems are oriented almost perpendicular to the [110] direction, making π-π inter-actions possible between adjacent dimers [centroid-centroid distances = 3.7674   ...[more]

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