4-(Prop-2-yn-1-ylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine

IUCrData

卷:2

Joel T. Mague¹  Mohammed Benchidmi²  Mohammed Boulhaoua²  El Mokhtar Essassi²  Mohamed El Hafi²  Youssef Ramli³ 

[1] Department of Chemistry, Tulane University, New Orleans, LA 70118, USA;

[2] Laboratoire de Chimie Organique Hétérocyclique, Centre de Recherche Des Sciences des Médicaments, Pôle de Compétence Pharmacochimie, Av Ibn Battouta, BP 1014, Faculté des Sciences, Université Mohammed V, Rabat, Morocco;

[3] Laboratory of Medicinal Chemistry, Faculty of Medicine and Pharmacy, Mohammed V University, Rabat, Morocco;

关键词: crystal structure;    hydrogen bond;    π-stacking;    pyrimidine;   

DOI  :  10.1107/S2414314617015267

来源: DOAJ

【 摘 要 】

The asymmetric unit of the title compound, C8H6N4S, consists of two independent molecules differing in the orientation of the side chain. In the crystal, molecules form dimers through N—H...N hydrogen bonds. The dimers stack along the a-axis direction with weak π–π stacking interactions [centroid–centroid distances of 3.898 (2) and 3.908 (2) Å]. The crystal studied was refined as a two-component twin.

【 授权许可】

Unknown