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Crystal structure of 4-benzyl-carbamoyl-1-methyl-pyridin-1-ium iodide: an efficient multimodal anti-viral drug.


ABSTRACT: In the title compound, [MeC5H4NCONHCH2C6H5]I or C14H15N2O+·I-, a cation and an anion form an ionic pair linked by a strong N-H?I hydrogen bond. In the crystal, ionic pairs linked by weak C-H?I hydrogen bonds form infinite ribbons along the crystallographic a axis. Polymorphism screening varying crystallization solvents (water, acetone 90%-water, ethanol 90%-water, 2-propanol 90%-water, DMF, DMSO, methanol, aceto-nitrile) and conditions (solution temperature, heating and cooling protocols) did not reveal any other polymorphs than the one reported in this work.

SUBMITTER: Drebushchak TN 

PROVIDER: S-EPMC5499270 | biostudies-literature | 2017 Jul

REPOSITORIES: biostudies-literature

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Crystal structure of 4-benzyl-carbamoyl-1-methyl-pyridin-1-ium iodide: an efficient multimodal anti-viral drug.

Drebushchak T N TN   Kryukov Yu A YA   Rogova A I AI   Boldyreva E V EV  

Acta crystallographica. Section E, Crystallographic communications 20170607 Pt 7


In the title compound, [<i>Me</i>C<sub>5</sub>H<sub>4</sub>NCONHCH<sub>2</sub>C<sub>6</sub>H<sub>5</sub>]I or C<sub>14</sub>H<sub>15</sub>N<sub>2</sub>O<sup>+</sup>·I<sup>-</sup>, a cation and an anion form an ionic pair linked by a strong N-H⋯I hydrogen bond. In the crystal, ionic pairs linked by weak C-H⋯I hydrogen bonds form infinite ribbons along the crystallographic <i>a</i> axis. Polymorphism screening varying crystallization solvents (water, acetone 90%-water, ethanol 90%-water, 2-propano  ...[more]

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