halogen bonds
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Weizhou Wang

Abstract C21H11F4I2N3, orthorhombic, Pnma (no. 62), a = 11.0042(4) Å, b = 20.6209(5) Å, c = 9.2371(3) Å, V = 2096.05(11) Å3, Z = 4, R gt (F) = 0.0316, wR ref (F 2) = 0.0556, T = 293(2) K.

CrystEngComm ◽  
2022 ◽  
Vinu V Panikkattu ◽  
Abhijeet Shekhar Sinha ◽  
Christer Aakeröy

Strong halogen bonds can provide a foundation for reliable supramolecular strategies for effective self-assembly and design of functional materials. A new class of halogen-bond donors have been developed using structural...

2022 ◽  
Vol 40 (1) ◽  
pp. 013201
Jong Hwan Park ◽  
Min Hui Chang ◽  
Won Jun Jang ◽  
Seungwu Han ◽  
Se-Jong Kahng

2021 ◽  
Vol 2 (74) ◽  
pp. 38-41
A. Al-Khazraji ◽  
I. Dudkin ◽  
E. Ofitserov ◽  
A. Finko ◽  
E. Beloglazkina

Analysis of the valence angles of the Si and carbon atoms of the C-S bond in the obtained complexes of CiVg2 c (5Z, 5'Z)-2,2’-(ethane-1,2-diyldisulfanyldiyl)bis(5-(2-pyridylmethylene)-3-allyl-3,5-dihydro-4Нimidazole-4-one) unambiguously indicates the determinant effect of the non-valent interactions of the electron density centroids of the NEP of bromine atoms and sulfur atoms, leading to a change in the plane structure of Cu(II) towards tetrahedral with a likely change in the magnetochemical properties of the copper atom, and the angle of rotation of the planes is almost 900. This interaction is the opposite of what is commonly called a halogen bond. In this case, it is an "anti-halogen" bond.

Molecules ◽  
2021 ◽  
Vol 26 (22) ◽  
pp. 6781
Kazuki Matsuo ◽  
Tadashi Yoshitake ◽  
Eiji Yamaguchi ◽  
Akichika Itoh

We have developed a photochemical ATRA/ATRC reaction that is mediated by halogen bonding interactions. This reaction is caused by the reaction of malonic acid ester derivatives containing bromine or iodine with unsaturated compounds such as alkenes and alkynes in the presence of diisopropylethylamine under visible light irradiation. As a result of various control experiments, it was found that the formation of complexes between amines and halogens by halogen-bonding interaction occurs in the reaction system, followed by the cleavage of the carbon–halogen bonds by visible light, resulting in the formation of carbon radicals. In this reaction, a variety of substrates can be used, and the products, cyclopentenes and cyclopentanes, were obtained by intermolecular addition and intramolecular cyclization.

Irina S. Konovalova ◽  
Svitlana V. Shishkina ◽  
Dmytro Kobzev ◽  
Olha Semenova ◽  
Anatoliy Tatarets

4,6-Dibromo-2,3,3-trimethyl-3H-indole, C11H11Br2N, exists as a neutral molecule in the asymmetric unit. The asymmetric unit of 4,6-dibromo-2,3,3-trimethyl-3H-indol-1-ium iodide, C12H14Br2N+·I−, contains one organic cation and one iodine anion. The positive charge is localized on the quaternized nitrogen atom. In the crystal, molecules of 4,6-dibromoindolenine are linked by C—Br...π halogen bonds, forming zigzag chains propagating in the [001] direction. The molecules of the salt form layers parallel to the (010) plane where they are linked by C—H...Br hydrogen bonds, C—Br...Br and C—Br...I halogen bonds. The Hirshfeld surface analysis and two dimensional fingerprint plots were used to analyse the intermolecular contacts present in both crystals.

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