Park Hyunjin, Kim Jineun, Chiang Hojae, Kim Tae Ho
Department of Chemistry (BK21 plus) and Research Institute of Natural Sciences, Gyeongsang National University, Jinju 52828, Republic of Korea.
Acta Crystallogr E Crystallogr Commun. 2017 Aug 8;73(Pt 9):1312-1315. doi: 10.1107/S2056989017011458. eCollection 2017 Sep 1.
The title compound, CHFNOS [systematic name: 2-(2,2-di-fluoro-eth-oxy)--(5,8-dimeth-oxy-1,2,4-triazolo[1,5-]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, and . The dihedral angles between the ring planes of the triazolo-pyrimidine ring systems and the benzene rings are 68.84 (7)° for and 68.05 (6)° for . In the crystal, weak inter-molecular π-π inter-actions, with centroid-centroid separations of 3.4456 (17) and 3.5289 (15) Å and C-F⋯π [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 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.
标题化合物CHFNOS [系统名称:2-(2,2-二氟乙氧基)--(5,8-二甲氧基-1,2,4-三唑并[1,5-]嘧啶-2-基)-6-(三氟甲基)苯磺酰胺]用作除草剂。该结构的不对称单元包含两个独立分子, 和 。三唑并嘧啶环系统的环平面与苯环之间的二面角, 为68.84 (7)°, 为68.05 (6)°。在晶体中,弱分子间π-π相互作用,质心-质心间距为3.4456 (17)和3.5289 (15) Å,以及C-F⋯π [3.5335 (17) Å和107.92 (13)°]接触,将相邻分子沿[001]连接成链。C-H⋯O和C-H⋯F氢键将 型分子连接成平行于(100)的链。额外的C-H⋯F氢键与短的F⋯F接触进一步将结构聚集成三维网络。