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(6,9-二乙酰基-5,10,15,20-四苯基-二氢卟吩氯镍)(II)的晶体结构

Crystal structure of (6,9-diacetyl-5,10,15,20-tetra-phenyl-secochlorinato)nickel(II).

作者信息

Sharma Meenakshi, Brückner Christian, Zeller Matthias

机构信息

Department of Chemistry, University of Connecticut, Unit 3060, Storrs, CT, 06269-3060, USA.

Department of Chemistry, Purdue University, 560 Oval Drive, West Lafayette, IN, 47907-2084, USA.

出版信息

Acta Crystallogr E Crystallogr Commun. 2024 May 24;80(Pt 6):649-653. doi: 10.1107/S2056989024004717. eCollection 2024 May 1.

Abstract

Title compound , [Ni(CHNO)], a secochlorin nickel complex, was prepared by diol cleavage of a precursor -di-hydroxy-dimethyl-chlorin. Two crystallographically independent mol-ecules in the structure are related by pseudo-A lattice centering, with mol-ecules differing mainly by a rotation of one of the acetyls and an adjacent phenyl groups. The two mol-ecules have virtually identical conformations characterized by noticeable in-plane deformation in the A mode and a prominent out-of-plane deformation in the B (ruffling) mode. Directional inter-actions between mol-ecules are scarce, limited to just a few C-H⋯O contacts, and inter-molecular inter-actions are mostly dispersive in nature.

摘要

标题化合物[Ni(CHNO)],一种二氢卟吩镍配合物,通过前体二羟基二甲基卟吩的二醇裂解制备。结构中的两个晶体学独立分子通过假A晶格中心相关,分子之间的差异主要在于其中一个乙酰基和相邻苯基的旋转。这两个分子具有几乎相同的构象,其特征在于A模式下明显的面内变形和B(起伏)模式下突出的面外变形。分子间的定向相互作用很少,仅限于少数C-H⋯O接触,分子间相互作用本质上大多是分散的。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d399/11151305/e64075bb8581/e-80-00649-fig1.jpg

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