Synthesis, crystal structure and Hirshfeld surface analysis of a new copper(II) complex based on diethyl 2,2′-(4H- 1,2,4-triazole-3,5-diyl)diacetate

被引：0

作者：

Vynohradov, Oleksandr S. ^{[1
]}

Vashchenko, Oleksandr V. ^{[1
]}

Khomenko, Dmytro M. ^{[1
,3
]}

Doroshchuk, Roman O. ^{[1
,3
]}

Raspertova, Ilona V. ^{[1
]}

Lampeka, Rostyslav D. ^{[1
]}

Stoica, Alexandru-Constantin ^{[2
]}

机构：

[1] Taras Shevchenko Natl Univ Kyiv, Dept Chem, Volodymyrska Str 64-13, UA-01601 Kiev, Ukraine

[2] PetruPoni Inst Macromol Chem, Aleea Gr,Ghica Voda 41A, Iasi 700487, Romania

[3] Enamine Ltd, Winston Churchill St 78, UA-02094 Kiev, Ukraine

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2024年 / 80卷

关键词：

copper; copper(II) complex; crystal structure; 1,2,4-triazole; Hirshfeld surface analysis; LIGANDS; ACID; CLEAVAGE;

D O I：

10.1107/S2056989024008259

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

The title compound, bis[mu-2,2 '-(4H-1,2,4-triazole-3,5-diyl)diacetato]bis[diaqua-copper(II)] dihydrate, [Cu-2(C6H5N3O4)(2)(H2O)(4)]center dot 2H(2)O, is a dinuclear octahedral Cu-II triazole-based complex. The central copper atoms are hexaco-ordinated by two nitrogen atoms in the equatorial positions, two equatorial oxygen atoms of two carboxylate substituents in position 3 and 5 of the 1,2,4-triazole ring, and two axial oxygen atoms of two water molecules. Two additional solvent water molecules are linked to the title molecule by O-H center dot center dot center dot N and O center dot center dot center dot H-O hydrogen bonds. The crystal structure is built up from the parallel packing of discrete supramolecular chains running along the a-axis direction. Hirshfeld surface analysis suggests that the most important contributions to the surface contacts are from H center dot center dot center dot O/O center dot center dot center dot H (53.5%), H center dot center dot center dot H (28.1%), O center dot center dot center dot O (6.3%) and H center dot center dot center dot C/C center dot center dot center dot H (6.2%) interactions. The crystal studied was twinned by a twofold rotation around [100].

引用

页码：976 / +

页数：9

共 50 条

[41] Synthesis and crystal structure of 5-[(1H-1,2,4-triazol-1-yl)methyl]-4-(2,3-dimethoxybenzylideneamino)-2-2H-1,2,4-triazole-3(4H)-thione monohydrate [J].

Xu Liang-Zhong ;

Shang Yu-Qing ;

Yu Guan-Ping ;

Li Kai ;

Si Guo-Dong .

CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2006, 25 (06) :673-676

[42] Synthesis, characterization and crystal structure of a silver(I) complex containing AMTT - (AMTT=4-amino-5-methyl-2H-1,2,4-triazole-3(4H)-thione) [J].

Yazdanbakhsh, Mohammad ;

Hakimi, Mohammad ;

Heravi, Majid M. ;

Boese, Roland .

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 2006, 632 (14) :2201-2203

[43] Synthesis and crystal structure of a new cobalt (II) complex with 4-(p-methylphenyl)-3,5-bis(pyridin-2-yl)-1,2,4-triazole [J].

Zhu, DR ;

Wang, ZX ;

Song, J ;

Li, YZ ;

Lan, DY .

CHINESE JOURNAL OF INORGANIC CHEMISTRY, 2005, 21 (01) :128-132

[44] Synthesis and crystal structure of 4-salicylimine-3,5-bis(2-hydroxyphenyl)-1,2,4-triazole [J].

Ji, BM ;

Du, CX ;

Zhu, Y ;

Wang, Y .

CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2002, 21 (03) :252-255

[45] Synthesis and Crystal Structure of 4-Salicylimine-3,5-bis(2-hydroxyphenyl)-1,2,4-triazole [J].

DU ChenXiab ZHU Yub WANG Yangc aDepartment of Chemistry Luoyang Teacher抯 College Luoyang China bDepartment of Chemistry Zhengzhou University Zhengzhou China cSchool of Pharmacy Fudan University Shanghai China .

结构化学, 2002, (03) :252-255

[46] A New Copper(I) Complex Based on 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole: Synthesis, Crystal Structure, Theoretical Study, Thermal Behavior and Luminescence [J].

Chen Ai-Hua ;

Meng Su-Ci ;

Zhou Kai ;

Wang Cong-Cong ;

Zhao Wei ;

Wang Ai-Jian ;

Qian Jun .

JOURNAL OF CHEMICAL SCIENCES, 2017, 129 (02) :185-191

[47] Bis(methanol-?O)dioxido[3,3'-(1H-1,2,4-triazole-3,5-diyl)diphenolato-?3O,N4,O']uranium(VI) methanol monosolvate [J].

Raspertova, Ilona ;

Doroschuk, Roman ;

Khomenko, Dmytro ;

Lampeka, Rostislav .

ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 2012, 68 :M61-M63

[48] Synthesis, Crystal Structure, and Characterization of Two New Zinc(II) Complexes With (4-Amino-1,2,4-triazole-3,5-diyldithio)diacetic Acid and N-Containing Ligands [J].

Yin, Mingcai ;

Wang, Hairong ;

Wu, Chaojun ;

Yang, Xiumin ;

Fan, Yaoting .

SYNTHESIS AND REACTIVITY IN INORGANIC METAL-ORGANIC AND NANO-METAL CHEMISTRY, 2012, 42 (09) :1255-1261

[49] Crystal structure and Hirshfeld surface analysis of a zinc xanthate complex containing the 2,2′-bipyriaine ligand [J].

Qadir, Adnan M. ;

Kansiz, Sevgi ;

Rosair, Georgina M. ;

Dege, Necmi ;

Safyanova, Inna S. .

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2019, 75 :1857-+

[50] Synthesis, crystal structure, exploration of the supramolecular assembly through Hirshfeld surface analysis of new 2,4-dihydro-1H-1,2,4-triazole-3-selones and 3,3′-di(4H-1,2,4-triazolyl) diselenides [J].

Askerov, Rizvan Kamil oglu ;

El Bakri, Youness ;

Osmanov, Vladimir Kimovich ;

Ahsin, Atazaz ;

Chipinsky, Evgeny Vadimovich ;

Vladimirovna, Matsulevich Zhanna ;

Lukiyanova, Julia Mikhailovna ;

Kovaleva, Olga Nikolaevna ;

Khrustalev, Victor Nikolaevich ;

Sergeevich, Peregudov Alexander ;

Baranov, Evgeny Vladimirovich ;

Magerramov, Abel Mammadali oglu ;

Al-Salahi, Rashad ;

Borisov, Aleksandr Vladimirovich .

JOURNAL OF ORGANOMETALLIC CHEMISTRY, 2024, 1006

← 1 2 3 4 5 →