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Dimethyl 1-(3-hy-droxy-2-iodo-1-phenyl-prop-yl)-1H-1,2,3-triazole-4,5-dicarboxyl-ate.

ABSTRACT: In the title compound, C(15)H(16)IN(3)O(5), the central triazole ring is essentially planar (r.m.s deviation = 0.0034?Å) and makes a dihedral angle of 70.14?(5)° with the pendant benzene ring. The mean planes of the two meth-oxy-carbonyl groups make dihedral angles of 22.52?(7) and 40.93?(4)° with the triazole ring. In the crystal, inversion dimers linked by pairs of O-H?O hydrogen bonds generate R(2) (2)(18) loops. The dimers are linked by C-H?O and C-H?N inter-actions into sheets lying parallel to the ac plane.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3344657 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

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Dimethyl 1-(3-hy-droxy-2-iodo-1-phenyl-prop-yl)-1H-1,2,3-triazole-4,5-dicarboxyl-ate.

Fun Hoong-Kun HK Chia Tze Shyang TS Archana Sivasubramanian S Dinesh Murugan M Ponnuswamy Alagusundaram A

Acta crystallographica. Section E, Structure reports online 20120428 Pt 5

In the title compound, C(15)H(16)IN(3)O(5), the central triazole ring is essentially planar (r.m.s deviation = 0.0034 Å) and makes a dihedral angle of 70.14 (5)° with the pendant benzene ring. The mean planes of the two meth-oxy-carbonyl groups make dihedral angles of 22.52 (7) and 40.93 (4)° with the triazole ring. In the crystal, inversion dimers linked by pairs of O-H⋯O hydrogen bonds generate R(2) (2)(18) loops. The dimers are linked by C-H⋯O and C-H⋯N inter-actions into sheets lying paralle ...[more]

PMID: 22590419

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