Intermolecular Interactions of 3,5-<i>bis</i>(4-Methoxyphenyl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide in a Cocrystal with 1,3-<i>bis</i>(4-Methoxyphenyl)prop-2-en-1-one and Dimethylformamide Solvate

Two new multicomponent crystals consisting of 3,5-<i>bis</i>(4-methoxyphenyl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide (<b>1</b>) with 1,3<i>-bis</i>(4-methoxyphenyl)prop-2-en-1-one (<b>2</b>) and with dimethylformamide (DMF), both i...

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Bibliographic Details
Main Authors: Benson M. Kariuki, Bakr F. Abdel-Wahab, Mohamed S. Bekheit, Gamal A. El-Hiti
Format: Article
Language:English
Published: MDPI AG 2022-05-01
Series:Crystals
Subjects:
Online Access:https://www.mdpi.com/2073-4352/12/5/663
Description
Summary:Two new multicomponent crystals consisting of 3,5-<i>bis</i>(4-methoxyphenyl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide (<b>1</b>) with 1,3<i>-bis</i>(4-methoxyphenyl)prop-2-en-1-one (<b>2</b>) and with dimethylformamide (DMF), both in 1:1 ratio, prepared and structurally characterized. The occurrence of <b>1</b> in different crystal structures enabled a comparison of hydrogen bonding contacts between the two structures as well as with the known structure of pure <b>1</b>. The backbone of molecule <b>1</b> was similar in the structures but the orientation of the methoxy groups varied. Molecule <b>1</b> was involved in various combinations of the possible hydrogen bonding contacts, including N–H…O=C, N–H…OMe, and N–H…S. Both N–H hydrogens in the cocrystal (<b>1</b>–<b>2</b>) and the solvate (<b>1</b>-DMF) participated in hydrogen bonding but only one hydrogen atom took part in the structure of pure <b>1</b>. The S atom accepted contacts in both the structures of pure <b>1</b> and cocrystal <b>1</b>–<b>2</b> but not in that of the <b>1</b>-DMF solvate. The oxygen atoms of both methoxy groups acted as acceptors in the structure of pure <b>1</b>, whereas one oxygen was involved in the <b>1</b>-DMF solvate and none in cocrystal <b>1</b>–<b>2</b>.
ISSN:2073-4352