Crystal structure and Hirshfeld surface analysis of N-(5-iodo-4-phenylthiazol-2-yl)acetamide

Acta Crystallographica Section E: Crystallographic Communications

Angel D. Herrera-España¹  Gonzalo J. Mena-Rejón²  Jesús Aguilera-González²  David Cáceres-Castillo²  Simón Hernández-Ortega³ 

[1] Centro de Investigaciones Químicas, Instituto de Investigación en Ciencias Básicas y Aplicadas, Universidad Autónoma del Estado de Morelos, Av. Universidad 1001, Chamilpa, Cuernavaca 62209, Morelos, Mexico;Facultad de Química, Universidad Autónoma de Yucatán, Calle 43 No. 613, Col. Inalámbrica, CP 97069, Mérida, Yucatán, Mexico;Instituto de Química, Universidad Nacional Autónoma de México, Circuito Exterior, Ciudad Universitaria, 04510, Ciudad de México, Mexico;

关键词: crystal structure;    1,3-thiazole;    Hirshfeld Surface;    hydrogen bonds;    I...I and I...S interactions;   

DOI  :  10.1107/S2056989019004791

来源: DOAJ

【 摘 要 】

Two crystallographically independent molecules (A and B) are present in the asymmetric unit of the title compound, C11H9IN2OS, which differ mainly in the dihedral angle between the phenyl and thiazole rings [38.94 (16) and 32.12 (15)°, respectively]. In the crystal, the molecules form ...A...B...A...B... chains along the [001] and [010] directions through moderate N—H...O hydrogen bonds and C—H...π interactions, respectively. The overall three-dimensional network is formed by I...I and I...S interactions. Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H...C/C...H (26.2%), H...H (20.9%), H...I/I...H (19.4%) and H...O/O...H (6.8%) interactions.

【 授权许可】

Unknown