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

共 50 条

[21] Synthesis and Some Transformations of 4-Oxo-7-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-7-carbonitrile
А. А. Aghekyan
G. G. Mkryan
H. A. Panosyan
A. S. Grigoryan
H. V. Gasparyan
Russian Journal of Organic Chemistry, 2021, 57 : 1638 - 1642
[22] Synthesis and Some Transformations of 4-Oxo-7-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-7-carbonitrile
Aghekyan, A. A.
Mkryan, G. G.
Panosyan, H. A.
Grigoryan, A. S.
Gasparyan, H., V
RUSSIAN JOURNAL OF ORGANIC CHEMISTRY, 2021, 57 (10) : 1638 - 1642
[23] Synthesis, Crystal Structure, Hirshfeld Surface and Docking Studies of 2-(methacryloyloxy)ethyl-6-amino-5-cyano-2-methyl-4-(thiophen-2-yl)-4H-pyran-3-carboxylate
Kathavarayan, Arulvani
Ramasamy, Venkateswaramoorthi
Rajamanickam, Ramachandran
Subramaniyan, Gunavathi
CHEMISTRYSELECT, 2022, 7 (45):
[24] 6′-amino-3′-methyl-2-oxo-1′-phenyl-1′,3a′,4′,7a′-tetrahydrospiro[1H-indole-3(2H),4′-pyrano[2,3-d]pyrazole]-5′-carbonitrile
Etti, S.
Shanthi, G.
Shanmugam, G.
Perumal, P. T.
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2008, 64 : O341 - U5691
[25] Crystal structure and Hirshfeld surface analysis of 5-acetyl-2-amino-4-(4-bromonhenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile
Mamedov, Ibrahim G.
Khrustalev, Victor N.
Akkurt, Mehmet
Novikov, Anton P.
Asgarova, Ayten R.
Aliyeva, Khatira N.
Akobirshoeva, Anzurat A.
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2022, 78 : 291 - +
[26] Crystal structure of 1-phenyl-N′-(1-phenyl-5-(thiophen-2-yl)-1H-pyrazole-3-carbonyl)-5-(thiophen-2-yl)-1H-pyrazole-3-carbohydrazide, C28H20N6O2S2
Baashen, Mohammed
Abdel-Wahab, Bakr F.
Hegazy, Amany S.
Kariuki, Benson M.
El-Hiti, Gamal A.
ZEITSCHRIFT FUR KRISTALLOGRAPHIE-NEW CRYSTAL STRUCTURES, 2018, 233 (04): : 617 - 619
[27] Synthesis and antibacterial activities of 1,2,3,4,6,7,8,9,10-nonahydro-1,3,7,9,10-pentaphenyl-5-(2-furanyl)-2,8-dithio-4,6-dioxo-5H-Pyrido [2,3-d; 6,5-d′] dipyrimidine
Kumar, RN
Suresh, T
Mohan, PS
ASIAN JOURNAL OF CHEMISTRY, 2003, 15 (03) : 1447 - 1451
[28] Synthesis and Structure Determination of 2-Cyano-3-(1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl)acrylamide
Kariuki, Benson M.
Abdel-Wahab, Bakr F.
Mohamed, Hanan A.
El-Hiti, Gamal A.
MOLBANK, 2022, 2022 (02)
[29] Synthesis and Structure of Methyl 2-Amino-7-aryl-4-oxo-3H-pyrido[2,3-d]pyrimidine-5-carboxylates
V. L. Gein
A. N. Prudnikova
N. N. Lomakina
M. V. Dmitriev
Russian Journal of General Chemistry, 2022, 92 : 766 - 770
[30] Synthesis and Structure of Methyl 2-Amino-7-aryl-4-oxo-3H-pyrido[2,3-d]pyrimidine-5-carboxylates
Gein, V. L.
Prudnikova, A. N.
Lomakina, N. N.
Dmitriev, M. V.
RUSSIAN JOURNAL OF GENERAL CHEMISTRY, 2022, 92 (05) : 766 - 770

← 1 2 3 4 5 →