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Crystal structure of triclopyr.

ABSTRACT: In the title compound {systematic name: 2-[(3,5,6-tri-chloro-pyridin-2-yl)-oxy]acetic acid}, the herbicide triclopyr, C7H4Cl3NO3, the asymmetric unit comprises two independent mol-ecules in which the dihedral angles between the mean plane of the carb-oxy-lic acid group and the pyridyl ring plane are 79.3?(6) and 83.8?(5)°. In the crystal, pairs of inter-molecular O-H?O hydrogen bonds form dimers through an R 2 (2)(8) ring motif and are extended into chains along [100] by weak ?-? inter-actions [ring centroid separations = 3.799?(4) and 3.810?(4)?Å]. In addition, short inter-molecular Cl?Cl contacts [3.458?(2)?Å] connect the chains, yielding a two-dimensional architecture extending parallel to (020). The crystal studied was found to be non-merohedrally twinned with the minor component being 0.175?(4).

SUBMITTER: Cho S

PROVIDER: S-EPMC4186132 | biostudies-literature | 2014 Sep

REPOSITORIES: biostudies-literature

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Crystal structure of triclopyr.

Cho Seonghwa S Kim Jineun J Jeon Youngeun Y Kim Tae Ho TH

Acta crystallographica. Section E, Structure reports online 20140801 Pt 9

In the title compound {systematic name: 2-[(3,5,6-tri-chloro-pyridin-2-yl)-oxy]acetic acid}, the herbicide triclopyr, C7H4Cl3NO3, the asymmetric unit comprises two independent mol-ecules in which the dihedral angles between the mean plane of the carb-oxy-lic acid group and the pyridyl ring plane are 79.3 (6) and 83.8 (5)°. In the crystal, pairs of inter-molecular O-H⋯O hydrogen bonds form dimers through an R 2 (2)(8) ring motif and are extended into chains along [100] by weak π-π inter-actions [ ...[more]

PMID: 25309266

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