{"title":"Two crystal structures of copper(II) complexes and adducts based on the neutral N1,N1-dimethyl-N2-(pyridin-2-ylmethyl)ethane-1,2-diamine ligand","authors":"Basam M. Alzoubi , Carola Schulzke","doi":"10.1107/S2056989025006000","DOIUrl":null,"url":null,"abstract":"<div><div>Two crystal structures of copper(II) complexes with a tridentate ligand are reported, new [Cu(N^N^N)(H<sub>2</sub>O)Cl][Cu(N^N^N)Cl<sub>2</sub>][CuCl<sub>4</sub>] and already known [Cu(N^N^N)(NCS)<sub>2</sub>]·0.3 H<sub>2</sub>O, (N^N^N = <em>N<sup>1</sup></em>,<em>N<sup>1</sup></em>-dimethyl-<em>N<sup>2</sup></em>-(pyridin-2-ylmethyl)ethane-1,2-diamine), which exhibit a considerable range of intermolecular interactions and notable packing patterns that are being discussed.</div></div><div><div>From the reaction of copper(II) chloride dihydrate with <em>N</em><sup>1</sup>,<em>N</em><sup>1</sup>-dimethyl-<em>N</em><sup>2</sup>-(pyridin-2-ylmethyl)ethane-1,2-diamine (denoted N^N^N) a new species comprising three distinct complexes crystallized, namely, aquachlorido[<em>N</em><sup>1</sup>,<em>N</em><sup>1</sup>-dimethyl-<em>N</em><sup>2</sup>-(pyridin-2-ylmethyl)ethane-1,2-diamine-κ<sup>3</sup><em>N</em>,<em>N</em>′,<em>N</em>′′]copper(II)chlorido[<em>N</em><sup>1</sup>,<em>N</em><sup>1</sup>-dimethyl-<em>N</em><sup>2</sup>-(pyridin-2-ylmethyl)ethane-1,2-diamine-κ<sup>3</sup><em>N</em>,<em>N</em>′,<em>N</em>′′]copper(II) tetrachloridocuprate(II), [CuCl(C<sub>10</sub>H<sub>17</sub>N<sub>3</sub>)(H<sub>2</sub>O)][CuCl(C<sub>10</sub>H<sub>17</sub>N<sub>3</sub>)][CuCl<sub>4</sub>] or [Cu(N^N^N)(H<sub>2</sub>O)Cl][Cu(N^N^N)Cl<sub>2</sub>][CuCl<sub>4</sub>], the latter two of which form an adduct. This complex was reacted with ammonium thiocyanate to form [Cu(N^N^N)(NCS)<sub>2</sub>], which crystallized with two independent molecules and a partial water in the asymmetric unit very similarly to the already reported structure of this compound. Both crystal structures show a rather complex set of intermolecular interactions including hydrogen bonding and what may be described as chalcogen bonding, pnictogen bonding and/or coinage bonding. The molecular structures, intramolecular interactions and packing patterns are discussed in detail and the more unusual ones are set into the context of structures available in the literature.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 8","pages":"Pages 676-683"},"PeriodicalIF":0.6000,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section E: Crystallographic Communications","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S2056989025001380","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
引用次数: 0
Abstract
Two crystal structures of copper(II) complexes with a tridentate ligand are reported, new [Cu(N^N^N)(H2O)Cl][Cu(N^N^N)Cl2][CuCl4] and already known [Cu(N^N^N)(NCS)2]·0.3 H2O, (N^N^N = N1,N1-dimethyl-N2-(pyridin-2-ylmethyl)ethane-1,2-diamine), which exhibit a considerable range of intermolecular interactions and notable packing patterns that are being discussed.
From the reaction of copper(II) chloride dihydrate with N1,N1-dimethyl-N2-(pyridin-2-ylmethyl)ethane-1,2-diamine (denoted N^N^N) a new species comprising three distinct complexes crystallized, namely, aquachlorido[N1,N1-dimethyl-N2-(pyridin-2-ylmethyl)ethane-1,2-diamine-κ3N,N′,N′′]copper(II)chlorido[N1,N1-dimethyl-N2-(pyridin-2-ylmethyl)ethane-1,2-diamine-κ3N,N′,N′′]copper(II) tetrachloridocuprate(II), [CuCl(C10H17N3)(H2O)][CuCl(C10H17N3)][CuCl4] or [Cu(N^N^N)(H2O)Cl][Cu(N^N^N)Cl2][CuCl4], the latter two of which form an adduct. This complex was reacted with ammonium thiocyanate to form [Cu(N^N^N)(NCS)2], which crystallized with two independent molecules and a partial water in the asymmetric unit very similarly to the already reported structure of this compound. Both crystal structures show a rather complex set of intermolecular interactions including hydrogen bonding and what may be described as chalcogen bonding, pnictogen bonding and/or coinage bonding. The molecular structures, intramolecular interactions and packing patterns are discussed in detail and the more unusual ones are set into the context of structures available in the literature.
期刊介绍:
Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.