Article

2-(1H-Benzotriazol-1-yl)-3-(2,6-dichloro-phen-yl)-1-phenyl-propan-1-ol.

Acta Crystallographica Section E Structure Reports Online (Impact Factor: 0.35). 09/2011; 67(Pt 9):o2510. DOI: 10.1107/S1600536811034738
Source: PubMed

ABSTRACT The asymmetric unit of the title compound, C(21)H(17)Cl(2)N(3)O, contains two crystallographically independent mol-ecules with similar conformations. The benzotriazole ring is oriented at dihedral angles of 30.61 (5) and 43.36 (5)°, respectively, to the phenyl and dichloro-phenyl rings in one mol-ecule, and 32.25 (5) and 41.04 (5)° in the other. The dihedral angles between the phenyl and dichloro-phenyl rings are 66.38 (7) and 66.14 (6)° in the two mol-ecules. An intra-molecular O-H⋯N hydrogen bond links the benzotriazole ring and phenyl-propanol unit in each mol-ecule. In the crystal, weak inter-molecular C-H⋯N hydrogen bonds link the mol-ecules into chains along the a axis. π-π stacking between the dichloro-phenyl rings [centroid-centroid distances = 3.809 (1) and 3.735 (1) Å] may further stabilize the crystal structure.

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    ABSTRACT: In the title compound, C(12)H(11)N(3)O(2), the benzotriazole ring system is approximately planar [maximum deviation = 0.008 (1) Å] and its mean plane is oriented at a dihedral angle of 24.05 (4)° with respect to the furan ring. In the crystal, O-H⋯N hydrogen bonds link the mol-ecules into chains along the ac diagonal. π-π stacking between the furan rings, between the triazole and benzene rings, and between the benzene rings [centroid-centroid distances = 3.724 (1), 3.786 (1) and 3.8623 (9) Å] are also observed.
    Acta Crystallographica Section E Structure Reports Online 01/2012; 68(Pt 1):o72. · 0.35 Impact Factor
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    ABSTRACT: In the title mol-ecule, C(21)H(17)Cl(2)N(3)O, the benzotriazole ring is oriented at dihedral angles of 48.72 (6) and 62.94 (5)°, respectively, to the phenyl and benzene rings and the dihedral angle between the phenyl and benzene rings is 88.95 (6)°. In the crystal, weak C-H⋯N hydrogen bonds link the mol-ecules into chains. π-π contacts between the triazole and benzene rings [centroid-centroid distance = 3.678 (1) Å] and a weak C-H⋯π inter-action are also observed.
    Acta Crystallographica Section E Structure Reports Online 12/2011; 67(Pt 12):o3177-8. · 0.35 Impact Factor

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