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

页码：325 / +

页数：13

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