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1-{2-(4-Chloro-benz-yloxy)-2-[4-(mor-pho-lin-4-yl)phen-yl]eth-yl}-1H-benzimidazole propan-2-ol monosolvate.


ABSTRACT: In the title compound, C26H26ClN3O2·C3H7OH, the benzimid-azole ring system is essentially planar [maximum deviation = -0.018?(2)?Å] and its mean plane is oriented with respect to the two benzene rings at dihedral angles of 4.51?(6) and 56.16?(6)°, and the dihedral angle between the two benzene rings is 59.11?(7)°. The morpholine ring displays a chair conformation. The propan-2-ol solvent mol-ecule links with the benzimidazole ring via an O-H?N hydrogen bond. In the crystal, weak inter-molecular C-H?O hydrogen bonds link the mol-ecules into inversion dimers with an R 2 (2)(28) motif. ?-? stacking occurs between the parallel chloro-benzene rings [centroid-centroid distance = 3.792?(1)?Å]. Weak C-H?? inter-actions and short Cl?Cl [3.2037?(10)?Å] contacts are also observed.

SUBMITTER: Ozel Guven O 

PROVIDER: S-EPMC3884486 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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1-{2-(4-Chloro-benz-yloxy)-2-[4-(mor-pho-lin-4-yl)phen-yl]eth-yl}-1H-benzimidazole propan-2-ol monosolvate.

Ozel Güven Ozden O   Capanlar Seval S   Adler Philip D F PD   Coles Simon J SJ   Hökelek Tuncer T  

Acta crystallographica. Section E, Structure reports online 20130817 Pt 9


In the title compound, C26H26ClN3O2·C3H7OH, the benzimid-azole ring system is essentially planar [maximum deviation = -0.018 (2) Å] and its mean plane is oriented with respect to the two benzene rings at dihedral angles of 4.51 (6) and 56.16 (6)°, and the dihedral angle between the two benzene rings is 59.11 (7)°. The morpholine ring displays a chair conformation. The propan-2-ol solvent mol-ecule links with the benzimidazole ring via an O-H⋯N hydrogen bond. In the crystal, weak inter-molecular  ...[more]

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