Crystal structure and Hirshfeld surface analysis of 3-(4-methoxyphenyl)-1-methyl-4-phenyl-1H-pyrazolo[3,4-d]pyrimidine

被引：2
|
作者：
El Hafi, Mohamed [1 ]
Kansiz, Sevgi [2 ]
Lahmidi, Sanae [1 ]
Boulhaoua, Mohammed [1 ]
Ramli, Youssef [3 ]
Dege, Necmi [2 ]
Essassi, El Mokhtar [1 ]
Mague, Joel T. [4 ]
机构：
[1] Univ Mohammed 5, Fac Sci, Pole Competence Pharmacochim, Lab Chim Organ Heterocycl,Ctr Rech Sci Medicamen, Av Ibn Battouta, Rabat 1014, Morocco
[2] Ondokuz Mayis Univ, Fac Arts & Sci, Dept Phys, TR-55139 Kurupelit, Samsun, Turkey
[3] Mohammed V Univ, Fac Med & Pharm, Lab Med Chem, Rabat, Morocco
[4] Tulane Univ, Dept Chem, New Orleans, LA 70118 USA
来源：
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2019年 / 75卷
关键词：
crystal structure; hydrogen bond; C-H center dot center dot center dot pi(ring) interactions; pyrazolo-pyrimidine; Hirshfeld surface analysis; METAL-IONS;
D O I：
10.1107/S2056989019004894
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
In the title molecule, C19H16N4O, the planar pyrazolopyrimidine moiety is inclined to the attached phenyl rings by 35.42 (4) and 54.51 (6)degrees. In the crystal, adjacent molecules are linked into chains parallel to [110] and [1 (1) over bar0] by C-H center dot center dot center dot O and C-H center dot center dot center dot N hydrogen bonds. Additional C-H center dot center dot center dot pi(ring) interactions lead to the formation of the final three-dimensional network structure. The Hirshfeld surface analysis of the title compound suggests that the most significant contributions to the crystal packing are from H center dot center dot center dot H (48.2%), C center dot center dot center dot H/H center dot center dot center dot C (23.9%) and N center dot center dot center dot H/H center dot center dot center dot N (17.4%) contacts.
引用
收藏
页码：638 / +
页数：9
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