Literature DB >> 33936770

Crystal structure and Hirshfeld surface analysis of trans-2,5-di-methyl-piperazine-1,4-diium tetra-chlorido-cobaltate(II).

Meriem Landolsi1, Sonia Abid1.   

Abstract

In the title mol-ecular n class="Chemical">salt, (C6H16N2)[CoCl4], the complete dication is generated by crystallographic inversion symmetry and the piperazine ring adopts a chair conformation with the pendant methyl groups in equatorial orientations. The complete dianion is generated by crystallographic twofold symmetry. In the crystal, the (C6H16N2)2+ and [CoCl4]2- ions are linked by N-H⋯Cl and C-H⋯Cl hydrogen bonds, thereby forming a two-dimensional supra-molecular network. The Hirshfeld surface analysis and fingerprint plots reveal that the largest contributions to the crystal stability come from H⋯Cl/Cl⋯H (68.4%) and H⋯H (27.4%) contacts. © Landolsi and Abid 2021.

Entities:  

Keywords:  Hirshfeld surface analysis; crystal structure; tetra­chlorido­cobaltate(II) salt

Year:  2021        PMID: 33936770      PMCID: PMC8025852          DOI: 10.1107/S2056989021002954

Source DB:  PubMed          Journal:  Acta Crystallogr E Crystallogr Commun


  5 in total

1.  Novel tools for visualizing and exploring intermolecular interactions in molecular crystals.

Authors:  Joshua J McKinnon; Mark A Spackman; Anthony S Mitchell
Journal:  Acta Crystallogr B       Date:  2004-11-11

2.  Graph-set analysis of hydrogen-bond patterns in organic crystals.

Authors:  M C Etter; J C MacDonald; J Bernstein
Journal:  Acta Crystallogr B       Date:  1990-04-01

3.  3,3'-Dimethyl-1,1'-methylenediimidazolium tetrachlorocobaltate(II).

Authors:  A Zeller; E Herdtweck; T Strassner
Journal:  Acta Crystallogr C       Date:  2004-12-18       Impact factor: 1.172

4.  Crystal structure refinement with SHELXL.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr C Struct Chem       Date:  2015-01-01       Impact factor: 1.172

5.  trans-2,5-Di-methyl-piperazine-1,4-diium dinitrate.

Authors:  Sofian Gatfaoui; Thierry Roisnel; Hassouna Dhaouadi; Houda Marouani
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2014-05-31
  5 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.