N-甲基亚氨基二乙酸根反式-R,R-、反式-S,S-和顺式-1,2-二氨基环己烷铂（IV）配合物的合成与表征：氯（反式-R,R-1,2-二氨基环己烷）（N-甲基亚氨基二乙酸根）铂（IV）氯化物的晶体结构

Synthesis and characterization of N-methyliminodiacetato trans-R,R-, trans-S,S-, and cis-1,2-diaminocyclohexane platinum (IV) complexes: crystal structure of chloro(trans-R,R-1,2-diaminocyclohexane) (N-methyliminodiacetato) platinum(IV) chloride.

作者信息

Xu Q, Khokhar A R

机构信息

Department of Medical Oncology, University of Texas, M.D. Anderson Cancer Center, Houston 77030.

出版信息

J Inorg Biochem. 1992 Nov 15;48(3):217-26. doi: 10.1016/0162-0134(92)84032-i.

DOI:10.1016/0162-0134(92)84032-i

PMID:1447569

Abstract

The compounds, chloro(trans-R,R-1,2-diaminocyclohexane) (N-methyliminodiacetato)platinum(IV) chloride, chloro(trans-S,S-1,2-diaminocyclohexane)(N-methyliminodiacetato) platinum(IV) chloride, and chloro(cis-1,2-diaminocyclohexane)(N-methyliminodiacetato)platinum (IV) chloride, were prepared and characterized by elemental analysis, IR, and 195Pt NMR. The crystal structure of one of these three compounds, chloro(trans-R,R-1,2-diaminocyclohexane) (N-methyliminodiacetato) platinum(IV) chloride, was determined by x-ray single crystal diffraction. This compound is particularly interesting because the 1,2-diaminocyclohexane (DACH) ring is in a twist-boat configuration rather than the chair configuration previously reported for other DACH platinum compounds. The crystal structure consists of two independent cations and anions, with all atoms between these two independent molecules (except those in the chiral DACH) related by a pseudo-inversion center. Both platinum atoms have slightly distorted octahedral coordination, with angles ranging from 81.8 to 100.8 degrees. Crystallographic details: space group P2(1) (monoclinic); a = 19.864(5) A, b = 7.026(2) A, c = 12.446(3) A, beta = 106.64(2) degrees; Z = 4; R = 0.036 for 2333 reflections.

摘要

制备了化合物氯（反式 - R，R - 1,2 - 二氨基环己烷）（N - 甲基亚氨基二乙酸根）铂（IV）氯化物、氯（反式 - S，S - 1,2 - 二氨基环己烷）（N - 甲基亚氨基二乙酸根）铂（IV）氯化物和氯（顺式 - 1,2 - 二氨基环己烷）（N - 甲基亚氨基二乙酸根）铂（IV）氯化物，并通过元素分析、红外光谱和¹⁹⁵Pt核磁共振对其进行了表征。通过X射线单晶衍射测定了这三种化合物之一氯（反式 - R，R - 1,2 - 二氨基环己烷）（N - 甲基亚氨基二乙酸根）铂（IV）氯化物的晶体结构。该化合物特别有趣，因为1,2 - 二氨基环己烷（DACH）环呈扭船构型，而不是先前报道的其他DACH铂化合物的椅式构型。晶体结构由两个独立的阳离子和阴离子组成，这两个独立分子之间的所有原子（手性DACH中的原子除外）通过一个假反演中心相关联。两个铂原子都具有略微扭曲的八面体配位，角度范围为81.8至100.8度。晶体学细节：空间群P2(1)（单斜晶系）；a = 19.864(5) Å，b = 7.026(2) Å，c = 12.446(3) Å，β = 106.64(2)度；Z = 4；对于2333个反射，R = 0.036。