Abstract
The two iodide salts, 4-[(benzyl-amino)-carbon-yl]-1-methyl-pyridinium iodide-iodine (2/1), C14H15N2O+·I-·0.5I2, I, and 4-[(benzyl-amino)-carbon-yl]-1-methyl-pyridinium triiodide, C14H15N2O+·I3 -, II, with different cation:iodine atoms ratios were studied. Salt I contains one cation, one iodide anion and half of the neutral I2 mol-ecule in the asymmetric unit (cation:iodine atoms ratio is 1:2). Salt II contains two cations, one triiodide anion (I 3 -) and two half triiodide anions (cation:iodine atoms ratio is 1:3). The NH group forms N-H⋯I hydrogen bonds with the I- anion in the crystal of I or N-H⋯O hydrogen bonds in II where only triiodide anions are present.
Highlights
The two iodide salts, 4-[(benzylamino)carbonyl]-1-methylpyridinium iodide– iodine (2/1), C14H15N2O+ÁIÀÁ0.5I2, I, and 4-[(benzylamino)carbonyl]-1-methylpyridinium triiodide, C14H15N2O+ÁI3À, II, with different cation:iodine atoms ratios were studied
All attempts to find polymorphic modifications of 4-[(benzylamino)carbonyl]-1-methylpyridinium iodide resulting from varying the solvents and crystallization conditions have failed
The neutral I2 molecule is located in a special position in relation to the symmetry centre coinciding with the midpoint of the I—I bond
Summary
4-[(Benzylamino)carbonyl]-1-methylpyridinium iodide, chemical formula C14H15N2O+ÁIÀ, is used as a multimodal antiviral drug (te Velthuis et al, 2020; Boltz et al, 2018; Buhtiarova et al, 2003; Frolov et al, 2004). Its molecular and crystal structure have been studied in detail by diffraction and spectroscopic methods (Drebushchak et al, 2017). All attempts to find polymorphic modifications of 4-[(benzylamino)carbonyl]-1-methylpyridinium iodide resulting from varying the solvents and crystallization conditions have failed. In a continuation of this work, we attempted to obtain a new polymorphic form of this compound using different solvents (ethanol, methanol, 2-propanol, etc.), and non-standard methods of activating the crystallization process. 1.32 (2) 1.313 (18) 18 (2) 178.3 (14) À53 (2) 2.11 2.57 amino) carbonyl]-1-methylpyridinium iodide does not dissolve in water. We did not obtain any new polymorphic modifications of this salt, but two compounds with cation– iodine ratios different from the equimolar [1:2 (salt I) and 1:3 (salt II)] were obtained
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