The crystal structure of 1-(4-methylphenyl)-3-(2-(trifluoromethyl)phenyl)triaz-1-ene 1-oxide (L) is monoclinic and has a space group of P2₁/c with a = 8.066(2) Å, b = 16.740(5) Å, c = 11.730(4) Å, β = 117.76(3)° and Z = 4. In this study, direct procedures were used to solve the crystalline structure of this complex and refine it by full-matrix least-squares to ultimate values of R1 = 0.0610 and wR2 = 0.1661 with 1474 reflections (I > 2σ(I)). The molecule is included in inter-hydrogen bonding with C₅–H₅ acting as donors and O atoms of N-oxide groups as acceptors (O₁······H₅) with a distance of 2.638 Å. These results were also confirmed by theoretical studies. The spectrophotometric titrations of the synthesized L with metal ions showed a substantially greater stability constant for its nickel ion complex with a mole ratio equal to 1. Consequently, the ligand was used for the selective extraction and spectrophotometric determining the Ni²⁺ ion in natural water. Under optimized conditions, the calibrating curve was linear over a nickel concentration range of 9.2 × 10⁻⁷–8.4 × 10⁻³ M. The detecting limit of this method was 6.0 × 10⁻⁷ M Ni²⁺. No considerable interference was found from at least 100 times concentrations of a number of possibly interfering ions.

1-（4-甲基苯基）-3-（2-（三氟甲基）苯基）三氮杂-1-烯1-氧化物（L）的晶体结构为单斜晶，其空间基团为P2 ₁ / c，a  = 8.066（ 2）Å，b  = 16.740（5）Å，c  = 11.730（4）Å，β  = 117.76（3）°，Z =4。在本研究中，直接方法用于解决该配合物的晶体结构并进行精制通过全矩阵最小二乘法将其最终值R1 = 0.0610和wR2 = 0.1661，反射1474（I>2σ（I））。该分子包含在氢间键合中，其中C ₅ –H ₅用作给体，N氧化物基团的O原子作为受体（O ₁ ·····H ₅），距离为2.638Å。理论研究也证实了这些结果。合成的带有金属离子的L的分光光度滴定显示出其摩尔比等于1的镍离子络合物的稳定常数大得多。因此，该配体用于选择性萃取和分光光度法测定天然水中的Ni ²⁺离子。 。在最佳条件下，校准曲线在镍浓度为9.2×10 ^-7 –8.4×10 ^-3 M的范围内是线性的。该方法的检测限为6.0×10 ^-7 M Ni ²⁺。从许多可能干扰的离子的至少100倍浓度中未发现明显的干扰。