Abstract
Triclopyr ethyl ester (1) has been co-synthesized through one-pot solvothermal reaction and the crystal structure has been determined by single crystal X-ray structure analysis. The compound C18H16Cl6N2O6 crystallizes in the monoclinic crystal system, P21/c space group with unit-cell parameters: a = 4.9615(2) Å, b = 30.9297(14) Å, c = 15.9155(10) Å, β = 91.466(4)° and Z = 4. Each unit cell is composed of two discrete, similar but reversely arranged triclopyr ethyl ester organic molecules. In the 3D packing plot, 1 is further assembled into a network structure via rich Cl⋯Cl halogen bond interactions. In addition, the crystal structure, the flexible conformation of phenoxy methylene group of 1 has been carefully compared and discussed with those of triclopyr acid.
Funding source: Key Scientific Research Projects in Colleges and Universities of Henan Province http://dx.doi.org/10.13039/501100013066
Award Identifier / Grant number: 21A150036
Funding source: Science and Technology Innovation Team in Colleges and Universities of Henan Province http://dx.doi.org/10.13039/501100010950
Award Identifier / Grant number: 21IRTSTHN004
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Author contributions: Jun-Xia Li: Conceptualization, Methodology, Software, Data curation, Writing – original draft, Writing – review & editing. Lin-Yuan Xiong: Writing draft. Xiao-Jie Xu: Formal analysis, Software, Data curation. Chang Liu: Software, editing. Zheng-Guo Wang: Validation, Supervision, Review and editing.
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Research funding: This work was supported by the key scientific research projects in colleges and universities of Henan Province (No. 21A150036), and the support plan for science and technology innovation team in colleges and universities of Henan Province (No. 21IRTSTHN004).
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Conflict of interest statement: The authors declare no conflicts of interest regarding this article.
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Availability of data and material: CCDC 2094156 contains the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data_request/cif.
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Code availability: Not applicable.
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