Crystal structure and Hirshfeld surface analysis of tris-(2,2'-bi-pyridine)-nickel(II) bis-(1,1,3,3-tetra-cyano-2-eth-oxy-propenide) dihydrate

Ignacio Chi-Duran; Zouaoui Setifi; Fatima Setifi; Christian Jelsch; Bernd Morgenstern; Andres Vega; Felipe Herrera; Dinesh Pratap Singh; Kaspar Hegetschweiler; Rabab Boyaala

doi:10.1107/S2056989019006959

Crystal structure and Hirshfeld surface analysis of tris-(2,2'-bi-pyridine)-nickel(II) bis-(1,1,3,3-tetra-cyano-2-eth-oxy-propenide) dihydrate

Acta Crystallogr E Crystallogr Commun. 2019 May 24;75(Pt 6):867-871. doi: 10.1107/S2056989019006959. eCollection 2019 Jun 1.

Authors

Ignacio Chi-Duran^{1

2}, Zouaoui Setifi^{3

4}, Fatima Setifi⁴, Christian Jelsch⁵, Bernd Morgenstern⁶, Andres Vega⁷, Felipe Herrera^{1

2}, Dinesh Pratap Singh^{1

2}, Kaspar Hegetschweiler⁶, Rabab Boyaala⁸

Affiliations

¹ Department of Physics, Universidad of Santiago Chile, Av. Ecuador 3493, Estaciín Central, Santiago 9170124, Chile.
² Millennium Institute for Research in Optics, MIRO, Chile.
³ Département de Technologie, Faculté de Technologie, Université 20 Août 1955-Skikda, BP 26, Route d'El-Hadaiek, Skikda 21000, Algeria.
⁴ Laboratoire de Chimie, Ingénierie Moléculaire et Nanostructures (LCIMN), Université Ferhat Abbas Sétif 1, Sétif 19000, Algeria.
⁵ Cristallographie, Résonance Magnétique et Modélisations (CRM2), UMR CNRS 7036, Institut Jean Barriol, Université de Lorraine, BP 70239, Boulevard des Aiguillettes, 54506 Vandoeuvre-les-Nancy, France.
⁶ Fachrichtung Chemie, Universität des Saarlandes, Postfach 151150, D-66041 Saarbrücken, Germany.
⁷ Departamento de Ciencias Quimicas, Universidad Nacional Andres Bello, Av Republica 275 3er Piso, Santiago, Region Metropolitana, Chile.
⁸ Laboratoire de Chimie Appliquée et Environnement (LCAE), Faculté des Sciences, Université Mohamed Premier, BP 524, 60000, Oujda, Morocco.

Abstract

The title compound, [Ni(C₁₀H₈N₂)₃](C₉H₅N₄O)₂·2H₂O, crystallizes as a racemic mixture in the monoclinic space group C2/c. In the crystal, the 1,1,3,3-tetracyano-2-ethoxypropenide anions and the water molecules are linked by O-H⋯N hydrogen bonds, forming chains running along the [010] direction. The bpy ligands of the cation are linked to the chain via C-H⋯π(cation) inter-actions involving the CH₃ group. The inter-molecular inter-actions were investigated by Hirshfeld surface analysis and two-dimensional fingerprint plots.

Keywords: Hirshfeld surface analysis; crystal structure; hydrogen bonding; polynitrile ligand.

Grants and funding

This work was funded by Direction Générale de la Recherche Scientifique et du Développement Technologique grant . Consejo Nacional de Innovación, Ciencia y Tecnología grants REDI 170423 and Regular 1181743. Millennium Institute for Research in Optics grant . Université Ferhat Abbas Sétif 1 grant .