Crystal structure of 1-butyl-3-{2-[(indan-5-yl)amino]-2-oxoethyl}-1H-imidazol-3-ium chloride

Acta Crystallographica Section E: Crystallographic Communications

Tejpalsingh Ramsingh Girase¹  Anant Ramakant Kapdi¹  Vidya Zende¹  Nicolas Chrysochos²  Carola Schulzke² 

[1] Department of Chemistry, Institute of Chemical Technology, Nathalal Parekh Road, Matunga, Mumbai 400019, India;Institut für Biochemie, Universität Greifswald, Felix-Hausdorff-Strasse 4, 17487 Greifswald, Germany;

关键词: crystal structure;    N-heterocyclic carbenes;    imidazolium salt;    amido-functionalization;    electron-rich ligand;    sigma donor acetamide;    hydrogen bonding;   

DOI  :  10.1107/S2056989018014792

来源: DOAJ

【 摘 要 】

In the cation of the title molecular salt, C18H24N3O+·Cl−, an intramolecular C—H...O hydrogen bond stabilizes the almost coplanar orientation of the aromatic ring of the indane unit and the amide plane. In the crystal, the packing is dominated by intermolecular C—H...Cl hydrogen-bonding interactions that result in the formation of slab-like structures propagating along [010]. The slabs are linked by weak C—H...O interactions, forming layers lying parallel to (100). The methylene carbon atom of the indanyl substituent is disordered over two positions with a refined occupancy ratio of 0.84 (2):0.16 (2). The crystal studied was refined as a twin with matrix [1 0 0.9, 0 \overline{1} 0, 0 0 \overline{1}]; the resulting BASF value is 0.30.

【 授权许可】

Unknown