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首页> 外文期刊>Journal of Inorganic Biochemistry: An Interdisciplinary Journal >Coordinative versatility of the carbonic anhydrase inhibitor benzolamide in zinc and copper model compounds
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Coordinative versatility of the carbonic anhydrase inhibitor benzolamide in zinc and copper model compounds

机译：碳酸酐酶抑制剂苯甲酰胺在锌和铜模型化合物中的协调通用性

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摘要

New benzolamide (H_2bz, 5-phenylsulfonamide- 1,3,4-thiadiazole-2-sulfonamide) zinc(II) and copper(II) complexes with tris(2-benzimidazolyl-methylamine) (L) and ammonia are reported. The crystal structures of the Zn(II) complexes were determined. The [Zn(Hbz)L]ClO_4.H_2O compound crystallizes in the triclinic P1 space group with a = 11.006(1), b = 14.777(2), c = 14.918(2) A, #alpha# = 114.30(1), #beta# = 98.90(1), #gamma# = 107.36(1)~deg and Z = 2. In this compound the Zn(II) has a distorted trigonal bipyramidal geometry. The {[Zn_2(bz)_2(NH_3)_4].2H_2O}_infinity crystallizes in the monoclinic space group C2/c with a = 23.530(3), b = 10.4124(11), c = 15.428(2) A, #beta# = 110.591(9)~deg and Z = 4. The metal centre is in a distorted tetrahedral [ZnN_4] environment. The benzolamide presents a different coordination behaviour in these complexes. In [Zn(Hbz)L] ClO_4 center dot H_2O it acts as a monodentate ligand through the thiadiazole N atom contiguous to the deprotonated sulfonamido group, while in {[Zn_2(bz)_2(NH_3)_4].2H_2O}_infinity it behaves as a bridge joining two Zn(II) ions via the N atom of the thiadiazole ring and the N atom of the free sulfonamido group. The Cu(Hbz)L(NO_3) complex was also obtained and characterized. The electronic properties and the EPR of the copper-doped zinc complexes showed that the copper(II) ion adopts a square pyramidal geometry. Also, for the Zn(II) complexes the interaction Zn-benzolamide has been studied using extended-Huckel molecularorbital (EHMO) calculations.
机译：报道了新的苯甲酰胺（H_2bz，5-苯基磺酰胺-1,3,4-噻二唑-2-磺酰胺）与三（2-苯并咪唑基甲胺）（L）和氨的锌（II）和铜（II）配合物。确定了Zn（II）配合物的晶体结构。 [Zn（Hbz）L] ClO_4.H_2O化合物在三斜晶P1空间群中结晶，a = 11.006（1），b = 14.777（2），c = 14.918（2）A，＃alpha＃= 114.30（1） ，＃beta＃= 98.90（1），＃gamma＃= 107.36（1）〜deg且Z =2。在该化合物中，Zn（II）具有变形的三角双锥体几何形状。 {[Zn_2（bz）_2（NH_3）_4] .2H_2O} _infinity在单斜空间群C2 / c中结晶，其中a = 23.530（3），b = 10.4124（11），c = 15.428（2）A，＃ beta＃= 110.591（9）〜deg且Z =4。金属中心处于扭曲的四面体[ZnN_4]环境中。苯甲酰胺在这些配合物中表现出不同的配位行为。在[Zn（Hbz）L] ClO_4中心点H_2O中，它通过与去质子化磺酰胺基相邻的噻二唑N原子作为单齿配体，而在{[Zn_2（bz）_2（NH_3）_4] .2H_2O} _infinity中，它表现为作为通过噻二唑环的N原子和游离磺酰胺基的N原子连接两个Zn（II）离子的桥。还获得并表征了Cu（Hbz）L（NO_3）配合物。掺杂铜的锌配合物的电子性质和EPR表明，铜（II）离子具有方形锥体形状。同样，对于Zn（II）配合物，已经使用扩展的Huckel分子轨道（EHMO）计算研究了Zn-苯甲酰胺的相互作用。

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