Crystal engineering strategies towards halogen-bonded metal–organic multi-component solids: Salts, cocrystals and salt cocrystals

V Nemec, K Lisac, N Bedeković, L Fotović… - …, 2021 - pubs.rsc.org
Over the past several decades, halogen bonding has become a standard 'tool'in
supramolecular chemistry and particularly in crystal engineering. Traditionally, the study of …

Anticooperativity of multiple halogen bonds and its effect on stoichiometry of cocrystals of perfluorinated iodobenzenes

N Bedeković, T Piteša, M Eraković… - Crystal growth & …, 2022 - ACS Publications
To investigate influences on the topicity of perfluorinated halobenzenes as halogen bond
(XB) donors in the solid state, we have conducted a database survey and prepared 18 novel …

Highly polar stacking interactions wrap inorganics in organics: lone-pair–π-hole interactions between the PdO 4 core and electron-deficient arenes

YV Torubaev, IV Skabitsky, AV Rozhkov… - Inorganic Chemistry …, 2021 - pubs.rsc.org
Cocrystallization of the palladium acetate cluster Pd3 (OAc) 6 (abbreviated as [Pd3]) with
electron-deficient iodine (I)-based perfluoroarenes (ArFI: iodopentafluorobenzene, 4 …

Disubstituted ferrocenyl iodo-and chalcogenoalkynes as chiral halogen and chalcogen bond donors

V Mamane, P Peluso, E Aubert, R Weiss… - …, 2020 - ACS Publications
Asymmetric catalysis based on halogen and chalcogen bonds (XB and ChB) is in its infancy,
and the search for new chiral XB and ChB donors represents a crucial step toward its …

Isothiocyanate Sulfur Atom as an Acceptor Site for Halogen-Bonded Cocrystallization of Werner Ni (II) Coordination Compounds and Perfluorinated Iodobenzenes

L Posavec, D Cinčić - Crystal growth & design, 2024 - ACS Publications
We explore the halogen bond acceptor potential of the isothiocyanate sulfur atom in the
synthesis of cocrystals involving metal–organic building blocks by using Werner Ni (II) …

A new supramolecular heterosynthon [C–I⋯ O [double bond, length as m-dash] C (carboxylate)] at work: engineering copper acetate cocrystals

YV Torubaev, IV Skabitsky - CrystEngComm, 2020 - pubs.rsc.org
A carboxylate⋯ iodine supramolecular heterosynthon can be reliably applied in cocrystal
engineering, using metal carboxylates as building blocks. Analysis of the energy framework …

Halogen-Bonded Cocrystals of 1, 3, 5-Triiodo-2, 4, 6-trifluorobenzene and Structural Isomers of Benzoylpyridine

N Baus Topić, N Bedekovic, K Lisac… - Crystal growth & …, 2022 - ACS Publications
Six novel halogen-bonded cocrystals of 1, 3, 5-triiodo-2, 4, 6-trifluorobenzene with three
structural isomers of benzoylpyridine have been synthesized mechanochemically and by …

Halogen vs. ionic bonding: An unusual isomorphism between the neutral (C5Me5) 2Fe/C2I2 cocrystal and ionic [(C5Me5) 2Fe] Br3 crystal

YV Torubaev, IV Skabitsky, GA Saratov… - Mendeleev …, 2021 - Elsevier
Almost equal molecular sizes of diiodoacetylene (C 2 I 2) and the [Br 3]− anion result in
isomorphic neutral cocrystal (DMFc–C 2 I 2) and [DMFc]+ Br 3− salt. This isomorphic pair of …

Halogen bonding in crystals of free 1,2-diiodo-ethene (C2H2I2) and its π-complex [CpMn(CO)2](π-C2H2I2)

YV Torubaev, IV Skabitsky - Zeitschrift für Kristallographie-Crystalline …, 2020 - degruyter.com
trans-diiodo-ethene (C2H2I2)–is an overlooked halogen bond donor, which demonstrate the
distinct similarity of the geometry and directionality of I··· I halogen bonds around the iodine …

The relationship between the crystal habit and the energy framework pattern: a case study involving halogen bonding on the edge of a covalent bond

YV Torubaev, D Howe, G Leitus, SV Rosokha - CrystEngComm, 2023 - pubs.rsc.org
The relationship between solid-state supramolecular interactions and crystal habits is
highlighted based on experimental and computational analysis of the crystal structure of …