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Crystal structure of oxadiarg-yl.

ABSTRACT: In the title compound {systematic name: 5-tert-butyl-3-[2,4-di-chloro-5-(prop-2-yn-yloxy)phen-yl]-1,3,4-oxa-diazol-2(3H)-one}, C15H14Cl2N2O3, which is an oxa-diazo-lone herbicide, the dihedral angle between the planes of the oxa-diazo-lone and benzene rings is 65.84 (6)°. In the crystal, weak inter-molecular Cl⋯Cl [3.3600 (7) Å] short contacts link adjacent mol-ecules, forming chains along the b-axis direction. These chains are linked by C-H⋯O, C-H⋯N and C-H⋯Cl hydrogen bonds, generating a three-dimensional network. Weak C-H⋯π inter-actions are also present.

SUBMITTER: Kang G

PROVIDER: S-EPMC4518994 | biostudies-literature | 2015 Jul

REPOSITORIES: biostudies-literature

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Crystal structure of oxadiarg-yl.

Kang Gihaeng G Kim Jineun J Park Hyunjin H Kim Tae Ho TH

Acta crystallographica. Section E, Crystallographic communications 20150620 Pt 7

In the title compound {systematic name: 5-tert-butyl-3-[2,4-di-chloro-5-(prop-2-yn-yloxy)phen-yl]-1,3,4-oxa-diazol-2(3H)-one}, C15H14Cl2N2O3, which is an oxa-diazo-lone herbicide, the dihedral angle between the planes of the oxa-diazo-lone and benzene rings is 65.84 (6)°. In the crystal, weak inter-molecular Cl⋯Cl [3.3600 (7) Å] short contacts link adjacent mol-ecules, forming chains along the b-axis direction. These chains are linked by C-H⋯O, C-H⋯N and C-H⋯Cl hydrogen bonds, generating a three ...[more]

PMID: 26279926

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