Crystal structure and Hirshfeld surface analysis of cyclo-tetrabromido-1κ2Br,3κ2Br-tetrakis(μ2-2-{[(pyridin-2-yl)methyl]amino}ethane-1-thiolato-κ3N,S:S)tetramercury(II)

被引：0
|
作者：
Thomas, Isla D. [1 ]
Kocher, Kathryn R. [1 ]
Viehweg, Julie A. [1 ]
Pike, Robert D. [1 ]
Bebout, Deborah C. [1 ]
机构：
[1] William & Mary, Dept Chem, Williamsburg, VA 23187 USA
来源：
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2023年 / 79卷
关键词：
crystal structure; Hirshfeld surface analysis; metallacycle; chelating N; S-ligands; Hg2+ complex; MOLECULAR-STRUCTURE; COMPLEXES; CYSTEAMINE; SOFTWARE; CADMIUM; LIGAND;
D O I：
10.1107/S205698902300823X
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
The macrometallacyclic title compound, [Hg4Br4(C8H11N2S)(4)] or [((HgL2)(HgBr2))(2)] (1) where HL = 2-{[(pyridin-2-yl)methyl]amino}ethane-1-thiol, was prepared and structurally characterized. The Hg2+ complex crystallizes in the P2(1)/c space group. The centrosymmetric Hg4S4 metallacycle is constructed from metal ions with alternating distorted tetrahedral Br2S2 and distorted seesaw N2S2 primary coordination environments with pendant pyridyl groups. The backfolded extended chair metallacycle conformation suggests interactions between each of the bis-chelated mercury atoms and Br atoms lying above and below the central Hg2S4 plane. Supramolecular interactions in 1 include a fourfold aryl embrace and potential hydrogen bonds with bromine as the acceptor. Hirshfeld surface analysis indicates that H center dot center dot center dot H (51.7%), Br center dot center dot center dot H/H center dot center dot center dot Br (23.0%) and C center dot center dot center dot H/H center dot center dot center dot C (9.5%) interactions are dominant.
引用
收藏
页码：952 / +
页数：12
相关论文
共 50 条
  • [31] Crystal structure of bis{mu(2)-3-(pyridin-2-yl)-5-[(1,2,4-triazol-1-yl)methyl]-1,2,4-triazolato}bis[aqua-nitratocopper(II)] dihydrate
    Doroschuk, Roman
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2016, 72 : 486 - +
  • [32] Crystal Structures of 2,2-Bipyridyl Palladium(II) Complexes: [Pd(PPh3)2{1-C10H6N2Br}(Br)] and [Pd(PPh3)2Br]2{,2-C10H6N2}
    Wang, H. -F.
    Yih, K. -H.
    Yang, C. -H.
    Lee, G. -H.
    Huang, K. -F.
    JOURNAL OF STRUCTURAL CHEMISTRY, 2018, 59 (04) : 961 - 967
  • [33] Crystal structure of {(but-3-en-1-yl)bis[(pyridin-2-yl)methyl]amine-kappa N-3,N ',N ''}dichloridocopper(II) diethyl ether hemisolvate
    Bussey, Katherine A.
    Connell, Jennifer R.
    McGlone, Annie R.
    Mraz, Margaret E.
    Oshin, Kayode D.
    Pintauer, Tomislav
    Oliver, Allen G.
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2015, 71 : 309 - +
  • [34] (2-{[1-(Pyridin-2-yl)ethylidene]aminomethyl}pyridine-κ3N,N′,N")bis(thiocyanato-κN)zinc
    Wang, Chen-Yi
    Li, Jing-Fen
    Wu, Xiang
    Tu, Hai-Yu
    Zhu, Pei-Fei
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2011, 67 : M1616 - +
  • [35] Radical scavenging potency of 2-(benzofuran-2-yl)-2-oxoethyl 3-(methyl/amino)benzoate: synthesis, crystal structure and Hirshfeld surface analysis
    Then, Li Yee
    Kumar, C. S. Chidan
    Kwong, Huey Chong
    Mah, Siau Hui
    Loh, Wan-Sin
    Quah, Ching Kheng
    Win, Yip-Foo
    Chandraju, Siddegowda
    ZEITSCHRIFT FUR KRISTALLOGRAPHIE-CRYSTALLINE MATERIALS, 2018, 233 (02): : 125 - 134
  • [36] Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of methyl 4-[3,6-bis(pyridin-2-yl)pyridazin-4-yl]benzoate
    Filali, Mouad
    El Ghayati, Lhoussaine
    Hokelek, Tuncer
    Mague, Joel T.
    Ben-Tama, Abdessalam
    El Hadrami, El Mestafa
    Kheira Sebbar, Nada
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2019, 75 : 1672 - +
  • [37] Crystal structures and Hirshfeld surface analysis of trans-bis(thiocyanato-κN)bis{2,4,6-trimethyl-N-[(pyridin-2-yl)methylidene]aniline-κ2N,N'}manganese(II) and trans-bis(thiocyanato-κN)bis{2,4,6-trimethyl-N-[(pyridin-2-yl)methylidene]aniline-κ2N,N'}nickel(II))
    Jittirattanakun, Siripak
    Theppitak, Chatphorn
    Wannarit, Nanthawat
    Rotsut, Bachari
    Chainok, Kittipong
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2020, 76 : 288 - +
  • [38] Crystal structure and Hirshfeld surface analysis of (E)-1-(2,4-dimethylfuran-3-yl)-3-phenylprop-2-en-1-one
    Khalilov, Ali N.
    Khrustalev, Victor N.
    Samigullina, Aida I.
    Akkurt, Mehmet
    Rzayev, Rovnag M.
    Bhattarai, Ajaya
    Mamedov, Brahim G.
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2023, 79 : 736 - +
  • [39] Crystal structure of bis(azido-kappa N)bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-kappa N-2(2),N-3]cobalt(II)
    Laachir, Abdelhakim
    Bentiss, Fouad
    Guesmi, Salaheddine
    Saadi, Mohamed
    El Ammari, Lahcen
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2015, 71 : 452 - +
  • [40] Crystal structure of bis(azido-kappa N)bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-kappa N-2(2), N-3]nickel(II)
    Laachir, Abdelhakim
    Bentiss, Fouad
    Guesmi, Salaheddine
    Saadi, Mohamed
    El Ammari, Lahcen
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2015, 71 : M24 - U106
12345