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4-[6,8-Dibromo-2-(2-chloro-5-nitro-phen-yl)-1,2,3,4-tetra-hydro-quinazolin-3-yl]cyclo-hexa-nol.

ABSTRACT: The title compound, C(20)H(20)Br(2)ClN(3)O(3), was synthesized by the condensation reaction of 2-chloro-5-nitro-benzaldehyde with 4-(2-amino-3,5-dibromo-benzyl-amino)cyclo-hexa-nol in a methanol solution. There are two independent mol-ecules in the asymmetric unit and in one mol-ecule the atoms of the cyclo-hexane ring are disordered over two sets of sites with refined occupancies of 0.657?(12) and 0.343?(12). The dihedral angle between the two benzene rings is 89.5?(2)° in one mol-ecule and 82.9?(2)° in the other. In the crystal structure, inter-molecular N-H?O and O-H?O hydrogen bonds link the mol-ecules into chains propagating along [01].

SUBMITTER: Wang ZG 

PROVIDER: S-EPMC2979269 | biostudies-other | 2010 Apr

REPOSITORIES: biostudies-other

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4-[6,8-Dibromo-2-(2-chloro-5-nitro-phen-yl)-1,2,3,4-tetra-hydro-quinazolin-3-yl]cyclo-hexa-nol.

Wang Zhi-Gang ZG   Xia Zong-Lin ZL   Wang Rong R   Wang Ming-Li ML  

Acta crystallographica. Section E, Structure reports online 20100428 Pt 5

The title compound, C(20)H(20)Br(2)ClN(3)O(3), was synthesized by the condensation reaction of 2-chloro-5-nitro-benzaldehyde with 4-(2-amino-3,5-dibromo-benzyl-amino)cyclo-hexa-nol in a methanol solution. There are two independent mol-ecules in the asymmetric unit and in one mol-ecule the atoms of the cyclo-hexane ring are disordered over two sets of sites with refined occupancies of 0.657 (12) and 0.343 (12). The dihedral angle between the two benzene rings is 89.5 (2)° in one mol-ecule and 82.  ...[more]

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