Crystal structure and Hirshfeld surface analysis of 6-amino-8-phenyl-1,3,4,8-tetrahydro-2H-pyrido-[1,2-a]pyrimidine-7,9-dicarbonitrile

被引：4

作者：

Naghiyev, Farid N. ^{[1
]}

Tereshina, Tatiana A. ^{[2
]}

Khrustalev, Victor N. ^{[2
,3
]}

Akkurt, Mehmet ^{[4
]}

Khalilov, Ali N. ^{[1
,5
]}

Akobirshoeva, Anzurat A. ^{[6
]}

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, Fac Sci, Dept Phys, TR-38039 Kayseri, Turkey

[5] Azerbaijan State Econ Univ UNEC, Composite Mat Sci Res Ctr, H Aliyev Str 135, AZ-1063 Baku, Azerbaijan

[6] Acad Sci Republ Tadzhikistan, Kh Yu Yusufbekov Pamir Biol Inst, 1 Kholdorova St, Khorog 736002, Gbao, Tajikistan

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2021年 / 77卷

关键词：

crystal structure; cycloaddition product; pyrido[1,2-a]pyrimidine; Hirshfeld surface analysis;

D O I：

10.1107/S2056989021003625

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

In the title compound, C16H15N5, the 1,4-dihydropyridine ring has a shallow boat conformation, while the 1,3-diazinane ring adopts an envelope conformation. In the crystal, pairwise N-H center dot center dot center dot N hydrogen bonds generate centrosymmetric dimers featuring R-2(2)(12) motifs and C-H center dot center dot center dot N contacts connect these dimers to form double layers lying parallel to (001). Weak C-H center dot center dot center dot pi and N-H center dot center dot center dot pi interactions help to consolidate the double layers and van derWaals interactions occur between layers. A Hirshfeld surface analysis indicates that the most significant contributions to the crystal packing are from H center dot center dot center dot H (38.5%), N center dot center dot center dot H/H center dot center dot center dot N (33.3%) and C center dot center dot center dot H/H center dot center dot center dot C (27.3%) contacts.

引用

页码：512 / +

页数：9

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