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Crystal structure of penoxsulam.

ABSTRACT: The title compound, C₁₆H₁₄F₅N₅O₅S [systematic name: 2-(2,2-di-fluoro-eth-oxy)-N-(5,8-dimeth-oxy-1,2,4-triazolo[1,5-c]pyrimidin-2-yl)-6-(tri-fluoro-meth-yl)benzene-sulfonamide], is used as a herbicide. The asymmetric unit of this structure comprises two independent mol-ecules, A and B. The dihedral angles between the ring planes of the triazolo-pyrimidine ring systems and the benzene rings are 68.84?(7)° for A and 68.05?(6)° for B. In the crystal, weak inter-molecular ?-? inter-actions, with centroid-centroid separations of 3.4456?(17) and 3.5289?(15)?Å and C-F?? [3.5335?(17)?Å and 107.92?(13)°] contacts link adjacent mol-ecules into chains along [001]. C-H?O and C-H?F hydrogen bonds link type B mol-ecules into chains parallel to (100). Additional C-H?F hydrogen bonds together with short F?F contacts further aggregate the structure into a three-dimensional network.

SUBMITTER: Park H

PROVIDER: S-EPMC5588569 | biostudies-literature | 2017 Sep

REPOSITORIES: biostudies-literature

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Crystal structure of penoxsulam.

Park Hyunjin H Kim Jineun J Chiang Hojae H Kim Tae Ho TH

Acta crystallographica. Section E, Crystallographic communications 20170808 Pt 9

The title compound, C16H14F5N5O5S [systematic name: 2-(2,2-di-fluoro-eth-oxy)-N-(5,8-dimeth-oxy-1,2,4-triazolo[1,5-c]pyrimidin-2-yl)-6-(tri-fluoro-meth-yl)benzene-sulfonamide], is used as a herbicide. The asymmetric unit of this structure comprises two independent mol-ecules, A and B. The dihedral angles between the ring planes of the triazolo-pyrimidine ring systems and the benzene rings are 68.84 (7)° for A</ ...[more]

PMID: 28932463

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