Crystal structure and Hirshfeld surface analysis of a pyridiniminium bromide salt: 1-[2-(adamantan-1-yl)-2-oxoeth­yl]pyridin-4-iminium bromide

Acta Crystallographica Section E: Crystallographic Communications

Quah, C.K.¹  Arafath, M.A.²  Chidan Kumar, C.S.³  Kwong, H.C.⁴  Mahmud Pathi, I.⁵ 

[1] Technology, Visvesvaraya Technological University, Alanahalli, Mysuru 570028, Karnataka, India;Department of Chemistry, Shahjalal University of Science and Technology, Sylhet 3114, Bangladesh;Department of Engineering Chemistry, Vidya Vikas Institute of Engineering &School of Chemical Sciences, Universiti Sains Malaysia, 11800 USM, Penang;X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia

关键词: CRYSTAL STRUCTURE;    PYRIDINIMINIUM SALT;    HYDROGEN BONDING;    HIRSHFELD SURFACE ANALYSIS;   

DOI  :  10.1107/S2056989018009131

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

In the cation of the title salt, C17H23N2O+·Br−, the adamantyl moiety and the pyridiniminium ring are inclined to the ketone bridge by torsion angles of −78.1 (2) (C—C—C=O) and 58.3 (2)° (C—C—N—C), respectively, and the ketone bridge has a C—C—C—N torsion angle of 174.80 (15)°. In the crystal, the cations are connected into chains parallel to the c axis by C—H⋯O hydrogen bonds. The chains are further linked into layers parallel to the bc plane by N—H⋯Br and C—H⋯Br hydrogen bonds, C—H⋯π inter­actions and π–π stacking inter­actions [centroid-to-centroid distance = 3.5657 (11) Å]. A Hirshfeld surface analysis, which comprises the dnorm surface, electrostatic potential map and two-dimensional fingerprint plots, was carried out to verify the contribution of the various inter­molecular inter­actions.

【 授权许可】

CC BY