Synthesis, crystal structure and Hirshfeld surface analysis of sodium bis-(malonato)borate monohydrate

Ramalingam Selvi; Govindharajan Gokila; Aravazhi Amalan Thiruvalluvar; Raju Sarangapani Sundararajan

doi:10.1107/S2056989024000537

Synthesis, crystal structure and Hirshfeld surface analysis of sodium bis-(malonato)borate monohydrate

Acta Crystallogr E Crystallogr Commun. 2024 Jan 26;80(Pt 2):180-183. doi: 10.1107/S2056989024000537. eCollection 2024 Feb 1.

Authors

Ramalingam Selvi¹, Govindharajan Gokila¹, Aravazhi Amalan Thiruvalluvar², Raju Sarangapani Sundararajan³

Affiliations

¹ Department of Physics, Government College for Women (Autonomous), (affiliated to Bharathidasan University), Kumbakonam 612 001, Tamilnadu, India.
² Principal (Retired), Kunthavai Naacchiyaar Government Arts College for Women (Autonomous), Thanjavur 613 007, Tamilnadu, India.
³ Department of Physics, Government Arts College (Autonomous), (affiliated to Bharathidasan University), Kumbakonam 612 002, Tamilnadu, India.

Abstract

In the title salt, poly[aqua-[μ₄-bis-(malonato)borato]sodium], {[Na(C₆H₄BO₈)]·H₂O}_n or Na⁺·[B(C₃H₂O₄)₂]^-·H₂O, the sodium cation exhibits fivefold coordination by four carbonyl O atoms of the bis-(malonato)borate anions and a water O atom. The tetra-hedral B atom at the centre of the anion leads to the formation of a polymeric three-dimensional framework, which is consolidated by C-H⋯O and O-H⋯O hydrogen bonds. A Hirshfeld surface analysis indicates that the most significant contacts in the crystal packing are H⋯O/O⋯H (49.7%), Na⋯O/O⋯Na (16.1%), O⋯O (12.6%), H⋯H (10.7%) and C⋯O/O⋯C (7.3%).

Keywords: Hirshfeld surface analysis.; bis(malonato)borate anion; crystal structure; sodium; synthesis.