3′-Methylacetanilide andN-benzylthioacetamide at low temperature

Abstract

Molecules of the title compounds, 3'-methylacetanilide [or N-(m-tolyl)acetamide], C(9)H(11)NO, (I), and N-benzylthioacetamide, C(9)H(11)NS, (II), are connected by a framework of intermolecular N-H...O and N-H...S hydrogen bonds, respectively, forming chains with the graph-set description C(4), which run along the b axis. Analyses of the crystal structures of (I) and (II) are helpful in the elucidation of a generation mechanism of the IR spectra of hydrogen-bonded molecular crystals. The correlation between the IR spectra of studied compounds and structural data is also discussed.

Towards a better comprehension of interactions in the crystalline N-acetylbenzylamine and its sulphur analogue N-benzyl-ethanethioamide. IR, Raman, DFT studies and Hirshfeld surfaces analysis

“…Śmiszek-Lindert -the description of this procedure was presented in the papers [20,21]. The XRD structural studies were performed by Śmiszek-Lindert and al [20,21].…”

“…In turn, spectral experiment in the case of polycrystalline samples have been performed at temperature 298K, while the IR spectra of the monocrystalline samples were measured at two temperatures, 298K and 77K. The single crystals of (1) and (2) have been obtained by crystallization from a melted substance (melting point of compound (1) and ( 2) is 333K [20] and 338-339K [21], respectively), which appears between two closely CaF 2 windows. The details of the experimental techniques of the preparing and the selection of single crystals from a mosaic are given in References [22][23][24][25][26].…”