The crystal structure of copper proline dihydrate
The crystal structure of copper proline dihydrate
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二水脯氨酸铜的晶体结构
DOI：
10.1107/s0365110x52001672
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发表时间：
1952
期刊：
影响因子：
--
通讯作者：
H. K. Welsh
中科院分区：
文献类型：
--
作者：
A. Mathieson;H. K. Welsh
二水合脯氨酸铜的晶体结构为单斜晶系，P2~/n，晶胞中有两个分子Cu（CoH 5 O ~N）~（2-）·2 H ~O，晶胞尺寸为a ~（-5.62），B ~（-17.85），c ~（-7.13），fl = 108 °。铜原子被两个氮原子和两个氧原子（每个羧基一个）分别以1.99和2.03 A的距离包围在正方形共面构型中。在近似垂直于该平面的直线上是2-52 /k的两个水分子。脯氨酸分子的吡咯烷环的原子1、2、3和5（N-1）是共面的，原子4位于距该平面0.60 Jk的距离处。与原子2相连的羧基相对于原子4位于反式位置。键长一般正常，碳-碳距离略短于1.54 /~。二水合脯氨酸铜单元通过氢键结合成平行于（010）的层，这些层的堆叠由相邻层的环亚甲基的货车德瓦尔斯接近距离控制。
The crystal structure of copper proline dihydrate is monoclinic, P2~/n, with two molecules of Cu(CoHsO~N)~.2H~O in a cell of dimensions, a---5.62, b ---17.85, c ---7.13 ~, fl = 108 °. The copper atom is surrounded in a square coplanar configuration by two nitrogen and two oxygen atoms (one from each carboxyl group) at distances 1.99 and 2.03 A respectively. On a line approximately perpendicular to this plane are two water molecules at 2-52 /k. The atoms 1, 2, 3 and 5 (N -1) of the pyrrolidine ring of the proline molecule are coplanar and atom 4 lies at a distance of 0.60 Jk from this plane. The carboxyl group attached to atom 2 is disposed in the trans position with respect to atom 4. The bond lengths are in general normal, the carbon-carbon distances being slightly shorter than 1.54 /~. The copper proline dihydrate units are bound by hydrogen bonds into layers parallel to (010), the stacking of these layers being governed by van der Waals approach distances of the ring methylene groups of adjacent layers.