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二乙酸根双[4-(2-氨基乙基)吗啉]镉四水合物的合成、晶体结构及 Hirshfeld 表面分析

Synthesis, crystal structure and Hirshfeld surface analysis of di-acetato-bis-[4-(2-amino-eth-yl)morpholine]cadmium tetra-hydrate.

作者信息

Chidambaranathan B, Sivaraj S, Vijayamathubalan P, Selvakumar S

机构信息

PG and Research Department of Physics, Government Arts College for Men, (Autonomous), Chennai 600 035, Tamil Nadu, India.

出版信息

Acta Crystallogr E Crystallogr Commun. 2023 Oct 19;79(Pt 11):1049-1054. doi: 10.1107/S2056989023008782. eCollection 2023 Nov 1.

Abstract

The title coordination compound, [Cd(CHO)(CHNO)]·4HO, was synthesized by mixing 2 moles of 4-(2-amino-eth-yl)morpholine and 1 mole of cadmium acetate in double-distilled water. The Cd atom is octa-hedrally coord-inated by two ,'-bidentate ligands [4-(2-amino-eth-yl)morpholine] and two -located acetate mol-ecules. The Cd atom is located on a center of inversion, whereas the 4-(2-amino-eth-yl)morpholine and four water mol-ecules are adjacent to the acetate mol-ecules. The chair conformation of the morpholine mol-ecules is confirmed. In the crystal, adjacent metal complexes and uncoord-inated water mol-ecules are linked N-H⋯O and O-H⋯O hydrogen-bonding inter-actions, generating (6), (16), (20) and (6) motifs and forming a three-dimensional network. A Hirshfeld surface analysis indicated the contributions of various contacts: H⋯H (71.8%), O⋯H/H⋯O (27.1%), and C⋯H/H⋯C (1.0%).

摘要

标题配合物[Cd(CHO)(CHNO)]·4HO是通过将2摩尔4-(2-氨基乙基)吗啉和1摩尔醋酸镉在双蒸水中混合合成的。镉原子由两个'-双齿配体[4-(2-氨基乙基)吗啉]和两个位于-的醋酸根分子八面体配位。镉原子位于一个反演中心,而4-(2-氨基乙基)吗啉和四个水分子与醋酸根分子相邻。吗啉分子的椅式构象得到证实。在晶体中,相邻的金属配合物和未配位的水分子通过N-H⋯O和O-H⋯O氢键相互作用连接,生成(6)、(16)、(20)和(6) motif,形成三维网络。 Hirshfeld表面分析表明了各种接触的贡献:H⋯H(71.8%)、O⋯H/H⋯O(27.1%)和C⋯H/H⋯C(1.0%)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d625/10626961/48644716f7b3/e-79-01049-fig1.jpg

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