Crystal structure and Hirshfeld surface analysis of 4-oxo-3-phenyl-2-sulfanylidene-5-(thiophen-2-yl)-3,4,7,8,9,10-hexahydro-2H-pyrido[1,6-a:2,3-d′]-dipyrimidine-6-carbonitrile

被引：0
|
作者：
Naghiyev, Farid N. [1 ]
Khrustalev, Victor N. [2 ,3 ]
Akkurt, Mehmet [4 ]
Mamedov, Huseyn M. [5 ]
Bhattarai, Ajaya [6 ]
Khalilov, Ali N. [1 ,7 ]
Mamedov, Ibrahim G. [1 ]
机构：
[1] Baku State Univ, Dept Chem, Z Khalilov Str 23, AZ-1148 Baku, Azerbaijan
[2] Peoples Friendship Univ Russia RUDN Univ, Miklukho Maklay St 6, Moscow 117198, Russia
[3] RAS, ND Zelinsky Inst Organ Chem, Leninsky Prosp 47, Moscow 119991, Russia
[4] Erciyes Univ, Dept Phys, Fac Sci, TR-38039 Kayseri, Turkiye
[5] Baku State Univ, Fac Phys, Z Khalilov Str 23, AZ-1148 Baku, Azerbaijan
[6] MMAMC Tribhuvan Univ, Dept Chem, Biratnagar, Nepal
[7] Azerbaijan State Econ Univ UNEC, Composite Mat Sci Res Ctr, H Aliyev Str 135, AZ-1063 Baku, Azerbaijan
来源：
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2024年 / 80卷
关键词：
crystal structure; hydrogen bonds; heterocycle; Hirshfeld surface analysis;
D O I：
10.1107/S2056989024001658
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
In the title compound, C21H15N5OS2, molecular pairs are linked by N-H center dot center dot center dot N hydrogen bonds along the c-axis direction and C-H center dot center dot center dot S and C-H center dot center dot center dot O hydrogen bonds along the b-axis direction, with R-2(2)(12) and R-2(2)(16) motifs, respectively, thus forming layers parallel to the (10 (4) over bar) plane. In addition, C=S center dot center dot center dot pi and C N center dot center dot center dot pi interactions between the layers ensure crystal cohesion. The Hirshfeld surface analysis indicates that the major contributions to the crystal packing are H center dot center dot center dot H (43.0%), C center dot center dot center dot H/H center dot center dot center dot C (16.9%), N center dot center dot center dot H/H center dot center dot center dot N (11.3%) and S center dot center dot center dot H/H center dot center dot center dot S (10.9%) interactions.
引用
收藏
页码：325 / +
页数：13
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