The crystal structure of the title compound (C17H19Cl2N2O3P, Mr = 401.21) has been determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group P21/n with a = 6.1648(6), b = 19.943(2), c = 15.268(2) ?, β = 99.220(2)°, V = 1852.8(3) ?3, Z = 4, Dc = 1.438 g/cm3, F(000) = 832, μ(MoKα) = 0.456 mm-1, the final R = 0.0622 and wR = 0.1586 for 3986 observed reflections (I > 2σ(I)). X-ray analysis reveals that the product is a thermodynamically stable cis isomer. The intramolecular hydrogen bond N(2)–H(2A)…O(1) is observed in the title compound.
In order to search for novel agrochemicals with high activity and low toxicity, a series of phosphonate derivatives containing 1,2,3-triazole and thiazole rings were designed and synthesized using 2-chloro-5-（chloromethyl）- thiazole as the starting material. Their structures were confirmed by IR, ^1H NMR, ^31p NMR, EI-MS or ESI-MS and elemental analyses. The crystal structure of 7a was determined by single crystal X-ray diffraction. Preliminary bioassays indicated that most of the target compounds did not display insecticidal activities, but a fraction of them possessed herbicidal and fungicidal activities to some extent.
The crystal structure of the title compound （C12H10ClN7OS, Mr= 335.78） has been determined by single-crystal X-ray diffraction. The crystal is of triclinic, space group Pi with a = 8.4093（11）, b = 9.4430（12）, c = 11.1454（14） A, α = 95.508（2）, β = 111.366（2）, γ = 115.259（2）°, V = 711.42（16） A3, Z = 2, Dc = 1.568 g/cm3, F（000） = 344, μ（MoKα） = 0.428 mm-1, the final R = 0.0476 and wR = 0.1243 for 2353 observed reflections （I 〉 2o（/））. The dihedral angles between the pyridine and triazole, thiazole and triazole, and pyridine and thiazole rings are 69.2（1）, 9.2（1） and 72.7（1）°, respectively. Intramolecular C（8）--H（8B）...O（1） and N（5）-H（5A）..-N（4） as well as intermolecular C（5）-H（5）...S（1）, C（3）-H（3）.,.N（6） and N（5）-H（5A）...N（1） hydrogen bonds together with weak C-H...Ir hydrogen-bonding and π-π stacking interactions contribute to the stability of the structure. There is also evidence for significant electron delocalization in the triazolyl system.
