Synthesis, structure and Hirshfeld surface analysis of a coordination compound of cadmium acetate with 2-amino-benzoxazole

• Published in: Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2023-09, Vol.79 (Pt 9), p.862-866
• Main Authors: Razzoqova, Surayyo, Ibragimov, Aziz, Torambetov, Batirbay, Kadirova, Shakhnoza, Holczbauer, Tamas, Ashurov, Jamshid, Ibragimov, Bakhtiyar
• Format: Article
• Language: English
• Subjects: Research Communications
• ISSN: 2056-9890; 2056-9890
• DOI: 10.1107/S2056989023007399

The mol­ecular and crystal structures of a cadmium acetate coordination compound with 2-amino­benzoxazole were studied, and the Hirshfeld surfaces and fingerprint plots were generated to investigate various inter­molecular inter­actions. A first coordination compound of 2-amino­benzoxazole ( 2AB ), namely, bis­(2-amino­benzoxazole-κ N 3 )bis­(acetato-κ 2 O , O ′)cadmium(II), [Cd(CH 3 COO) 2 ( 2AB ) 2 ], has been synthesized from ethanol solutions of Cd(CH 3 (COO) 2 and 2AB . In the monoclinic crystals with the space group C 2 1 / c , the cadmium ions coordinate two neutral 2AB mol­ecules in a monodentate fashion through the oxazole N atom, while two acetate ligands are coordinated through the O atoms in a bidentate manner. The coordination polyhedron of the central ion is substanti­ally distorted octa­hedral. There are two relatively strong intra­molecular hydrogen bonds in the complex mol­ecule. Additionally, two inter­molecular hydrogen bonds associate complex mol­ecules into columns running in the [1 0] and [110] directions. The Hirshfeld surface analysis shows that 45.7% of the inter­molecular inter­actions are from H⋯H contacts, 24.7% are from O⋯H/H⋯O contacts and 18.8% are from C⋯H/H⋯C contacts, while other contributions are from N⋯H/H⋯N and O⋯O contacts.