Crystal structure of 4-carbamoylpyridinium chloride

8Citations
Citations of this article
7Readers
Mendeley users who have this article in their library.

Abstract

The hydrochloride salt of isonicotinamide, C6H7N2O+-Cl, has been synthesized from a dilute solution of hydrochloric acid in acetonitrile. The compound displays monoclinic symmetry (space group C2/c) at 150 K, similar to the related hydrochloride salt of nicotinamide. The asymmetric unit contains one protonated isonicotinamide molecule and a chloride anion. An array of hydrogen-bonding interactions, including a peculiar bifurcated pyridinium- chloride interaction, results in linear chains running almost perpendicularly in the [150] and [150] directions within the structure. A description of the hydrogen-bonding network and comparison with similar compounds are presented.

Figures

  • Figure 1 The asymmetric unit of the title compound, showing the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level. The dashed line represents a hydrogen bond.
  • Table 1 Hydrogen-bond geometry (Å, ).
  • Figure 2 A view of the hydrogen bonding arrangements within 4-carbamoylpyridinium chloride, showing the pyridinium–chloride (A) amide–amide (B) and amine–chloride (C) interactions. Hydrogen bonds are drawn as light-blue dashed lines. Possible C—H X interactions have been omitted.
  • Figure 3 Crystal packing diagram of 4-carbamoylpyridinium chloride viewed along the b axis. Hydrogen bonds are drawn as light-blue dashed lines.
  • Table 2 Experimental details.

References Powered by Scopus

A short history of SHELX

84584Citations
N/AReaders
Get full text

Crystal structure refinement with SHELXL

21392Citations
N/AReaders
Get full text

Mercury CSD 2.0 - New features for the visualization and investigation of crystal structures

8049Citations
N/AReaders
Get full text

Cited by Powered by Scopus

Synthesis, intermolecular interactions and biological activities of two new organic-inorganic hybrids C<inf>6</inf>H<inf>10</inf>N<inf>2</inf>,2Br and C<inf>6</inf>H<inf>10</inf>N<inf>2</inf>,2Cl·H<inf>2</inf>O

12Citations
N/AReaders
Get full text

Crystal structure of five solid forms from isonicotinamide and carboxylic acids assembled by classical hydrogen bonds and other noncovalent interactions

11Citations
N/AReaders
Get full text

Polymorphism and solid−gas/solid−solid reactions of isonicotinic acid, isonicotinamide, and nicotinamide copper chloride compounds

10Citations
N/AReaders
Get full text

Register to see more suggestions

Mendeley helps you to discover research relevant for your work.

Already have an account?

Cite

CITATION STYLE

APA

Fellows, S. M., & Prior, T. J. (2016). Crystal structure of 4-carbamoylpyridinium chloride. Acta Crystallographica Section E: Crystallographic Communications, 72, 436–439. https://doi.org/10.1107/S2056989016003340

Readers over time

‘16‘18‘19‘2400.751.52.253

Readers' Seniority

Tooltip

PhD / Post grad / Masters / Doc 3

75%

Lecturer / Post doc 1

25%

Readers' Discipline

Tooltip

Chemistry 3

75%

Agricultural and Biological Sciences 1

25%

Save time finding and organizing research with Mendeley

Sign up for free
0