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水合 -(2,9 - 二甲基 - 1,10 - 菲咯啉 - κN,N')双(甲酸根 - κO)铜(II)的第二种多晶型物。

A second polymorph of aqua-(2,9-di-methyl-1,10-phenanthroline-κN,N')bis-(formato-κO)copper(II).

作者信息

Lin Jian-Li, Xu Wei, Xie Hong-Zhen

机构信息

State Key Laboratory Base of Novel Functional Materials and Preparation Science, Faculty of Materials Science and Chemical Engineering, Ningbo University, Ningbo 315211, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Jul 26;64(Pt 8):m1062. doi: 10.1107/S1600536808022812.

Abstract

A new monoclinic polymorphic form of the title compound, [Cu(HCO(2))(2)(C(14)H(12)N(2))(H(2)O)], is described. It differs from the first ortho-rhom-bic polymorph [Pan, Lin & Zheng (2005 ▶). Z. Kristallogr. New Cryst. Struct.220, 495-496] in the deviation of the Cu atom relative to the plane of the 2,9-dimethyl-1,10-phenanthroline (dmp) ligand. In the present structure, the Cu atom is shifted from the mean plane of the dmp ligand by only 0.005 (1) Å, compared with 0.318 (6) Å in the ortho-rhom-bic form. Hydrogen-bonding and π-π stacking inter-actions (mean inter-planar distance of 3.59 Å in the title compound) in the two different polymorphs are both essential to the supra-molecular assembly.

摘要

报道了标题化合物[Cu(HCO₂)₂(C₁₄H₁₂N₂)(H₂O)]的一种新的单斜晶多晶型。它与第一种正交晶多晶型[Pan, Lin & Zheng (2005 ▶). Z. Kristallogr. New Cryst. Struct.220, 495 - 496]的不同之处在于铜原子相对于2,9 - 二甲基 - 1,10 - 菲咯啉(dmp)配体平面的偏差。在当前结构中,铜原子相对于dmp配体的平均平面仅偏移了0.005 (1) Å,而在正交晶型中为0.318 (6) Å。两种不同多晶型中的氢键和π - π堆积相互作用(标题化合物中的平均平面间距离为3.59 Å)对于超分子组装都是必不可少的。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bd50/2961975/cb5fef343c2c/e-64-m1062-fig1.jpg

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