Abstract The copper coordination complex [CuCl(2-OHNA)H 2 O]·H 2 O ( 1 ) was synthesized by the reaction of CuCl 2 ·2H 2 O with in situ generated 2-hydroxynicotinic acid and its crystal structure was determined by single X-ray diffraction methods. It was further characterized by FT-IR spectroscopy, elemental analyses, and thermogravimetric analysis. Complex 1 crystallizes in monoclinic space group P2 1 /c with a = 8.9797(13), b = 14.196(2), c = 7.0738(11) Å, β = 96.897(2), V = 895.2(2) Å 3 , M r = 273.12, D c = 2.027 g/cm 3 , and Z = 4. In the structure, complex 1 is linked into 2D sheets via intermolecular hydrogen bonding [N1–H1···O2 (−x+1, y − 1/2, − z+1/2); O5–H10···O2 (− x+1, y + 1/2, − z+1/2); O4–H9···O5 (x, y − 1, z); O4–H8···O5 (− x+2, y + 1, − z)]. The catalytic property of 1 was also investigated in the selective oxidation of benzyl-alkanes using TBHP as oxidant. Under optimized conditions, 1 exhibited high catalytic activity and selectivity toward the corresponding aryl ketones. Graphic Abstract The copper coordination complex [CuCl(2-OHNA)H 2 O]·H 2 O ( 1 ) was synthesized by the reaction of CuCl 2 ·2H 2 O with in situ generated 2-hydroxynicotinic acid and the catalytic property of 1 was also investigated in the selective oxidation of benzyl-alkanes using TBHP as oxidant.

中文翻译：

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基于原位生成2-羟基烟酸的铜配位化合物的合成、晶体结构及催化性能

摘要 通过CuCl 2 ·2H 2 O与原位生成的2-羟基烟酸反应合成铜配位络合物[CuCl(2-OHNA)H 2 O]·H 2 O ( 1 ) ，其晶体结构由下式确定。单X射线衍射法。通过 FT-IR 光谱、元素分析和热重分析对其进行了进一步表征。配合物 1 在单斜空间群 P2 1 /c 中结晶，a = 8.9797(13), b = 14.196(2), c = 7.0738(11) Å, β = 96.897(2), V = 895.2(2) Å 3 , M r = 273.12，D c = 2.027 g/cm 3 ，Z = 4。在结构中，配合物 1 通过分子间氢键连接成二维薄片 [N1–H1...O2 (−x+1, y − 1/2, − z+1/2); O5–H10……O2 (− x+1, y + 1/2, − z+1/2); O4–H9……O5 (x, y − 1, z); O4–H8……O5 (− x+2, y + 1, − z)]。还研究了 1 的催化性能在使用 TBHP 作为氧化剂的苄基烷烃的选择性氧化中。在优化条件下，1对相应的芳基酮表现出较高的催化活性和选择性。图形摘要 通过CuCl 2 ·2H 2 O与原位生成的2-羟基烟酸反应合成铜配位络合物[CuCl(2-OHNA)H 2 O]·H 2 O ( 1 )，并利用1还研究了使用 TBHP 作为氧化剂选择性氧化苄基烷烃。