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Crystal structure and Hirshfeld surface analysis of a pyridiniminium bromide salt: 1-[2-([1,1'-biphen-yl]-4-yl)-2-oxoeth-yl]-3-methyl-1,4-di-hydro-pyridin-4-iminium bromide.

ABSTRACT: In the cation of the title salt, C20H19N2O+·Br-, the phenyl rings are inclined to one another by 38.38?(8)°, whereas the central phenyl ring and the pyridiniminium ring are almost perpendicular with a dihedral angle of 87.37?(9)°. The N+=C cationic double bond was verified by the shortened bond length of 1.337?(2)?Å. In the crystal, the Br- anion is linked to the cation by an N-H?Br hydrogen bond. C-H?O hydrogen bonds link adjacent pyridiniminium cations into inversion dimers with an R22(18) graph-set motif. These dimers are stacked in a phen-yl-phenyl T-shaped geometry through C-H?? inter-actions. A Hirshfeld surface analysis was conducted to verify the contributions of the different inter-molecular inter-actions.

SUBMITTER: Sheshadri SN 

PROVIDER: S-EPMC5947502 | biostudies-literature | 2018 May

REPOSITORIES: biostudies-literature

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Crystal structure and Hirshfeld surface analysis of a pyridiniminium bromide salt: 1-[2-([1,1'-biphen-yl]-4-yl)-2-oxoeth-yl]-3-methyl-1,4-di-hydro-pyridin-4-iminium bromide.

Sheshadri S N SN   Kwong Huey Chong HC   Chidan Kumar C S CS   Quah Ching Kheng CK   Siddaraju B P BP   Veeraiah M K MK   Hamid Muhammad Aiman Bin Abd MABA   Warad Ismail I  

Acta crystallographica. Section E, Crystallographic communications 20180427 Pt 5

In the cation of the title salt, C<sub>20</sub>H<sub>19</sub>N<sub>2</sub>O<sup>+</sup>·Br<sup>-</sup>, the phenyl rings are inclined to one another by 38.38 (8)°, whereas the central phenyl ring and the pyridiniminium ring are almost perpendicular with a dihedral angle of 87.37 (9)°. The N<sup>+</sup>=C cationic double bond was verified by the shortened bond length of 1.337 (2) Å. In the crystal, the Br<sup>-</sup> anion is linked to the cation by an N-H⋯Br hydrogen bond. C-H⋯O hydrogen bonds l  ...[more]

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