4.6 Article

Anticooperativity and Competition in Some Cocrystals Featuring Iodine-Nitrogen Halogen Bonds

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Multidisciplinary

Stoichiomorphic halogen-bonded cocrystals: a case study of 1,4-diiodotetrafluorobenzene and 3-nitropyridine

Christelle Hajjar et al.

Summary: This study explores the concept of variable stoichiometry cocrystallization in halogen-bonded systems and synthesizes three novel cocrystals. Single-crystal X-ray diffraction analysis reveals key differences between these cocrystals. Powder X-ray diffraction and NMR experiments are carried out to investigate the chemical shifts and halogen bond formation in the cocrystals.

CANADIAN JOURNAL OF CHEMISTRY (2022)

Article Chemistry, Multidisciplinary

Anticooperativity of Multiple Halogen Bonds and Its Effect on Stoichiometry of Cocrystals of Perfluorinated Iodobenzenes

Nikola Bedekovic et al.

Summary: The influence of perfluorinated halobenzenes as halogen bond donors on their topicity in the solid state was investigated through a database survey and the preparation of novel cocrystals. It was found that under specific conditions, these compounds can exhibit mono-, di-, or tritopic properties. DFT calculations revealed that the binding of a acceptor molecule to one of the iodine atoms of the XB donor reduces the potential for forming further halogen bonds, explaining the observed occurrences of crystal structures where the donors do not achieve their maximal topicity.

CRYSTAL GROWTH & DESIGN (2022)

Article Chemistry, Multidisciplinary

Synthetic Strategies toward Higher Cocrystals of Some Resorcinols

Sourav Roy et al.

Summary: In this study, a total of 32 cocrystals based on resorcinol derivatives were successfully synthesized using structural inequivalence and shape-size mimicry approaches. Additionally, a series of large synthon Aufbau modules (LSAMs) were designed, and a stoichiometric quaternary cocrystal was constructed without using a special compound 2,3,5,6-tetramethylpyrazine.

CRYSTAL GROWTH & DESIGN (2022)

Article Chemistry, Multidisciplinary

Quaternary and quinary molecular solids based on structural inequivalence and compmatorial approaches: 2-mtroresorcinol and 4,6-dichiororesorcinol

Madhu Rajkumar et al.

Summary: This study outlines a synthetic strategy for the formation of stoichiometric quaternary and non-stoichiometric quinary solids. A series of 2-nitroresorcinol-based quaternary cocrystals were developed from binary precursors in two conceptual stages, showing that some binary systems can be homologated into higher cocrystals. By adding the third and fourth components, the process may be more flexible in terms of synthesis and structural assembly.
Article Crystallography

The Amine Group as Halogen Bond Acceptor in Cocrystals of Aromatic Diamines and Perfluorinated Iodobenzenes

Erik Uran et al.

Summary: This study investigated the propensity of primary amine groups as halogen bond acceptors using five cocrystals. The results showed that in all cocrystals, the amine groups formed I···N halogen bonds, while the amine hydrogen atoms mainly participated in N-H···F contacts. Computational analysis revealed that the halogen bond energy between a primary amine and a perfluorinated iodobenzene is significantly higher than the energy of a hydrogen bond between two amine molecules.

CRYSTALS (2021)

Article Chemistry, Multidisciplinary

CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis o molecular crystals

Peter R. Spackman et al.

Summary: CrystalExplorer is a native cross-platform program that supports visualization and investigation of molecular crystal structures, with enhanced capabilities for calculating intermolecular interactions and quantum-mechanical properties. The software, including the latest version CrystalExplorer21, is available for free download and academic research use.

JOURNAL OF APPLIED CRYSTALLOGRAPHY (2021)

Review Chemistry, Multidisciplinary

Variable stoichiometry cocrystals: occurrence and significance

Basanta Saikia et al.

Summary: The occurrence of variable stoichiometry cocrystals provides the possibility of acquiring more solid forms of the same system. The control of stoichiometry is crucial for maintaining purity and protecting intellectual property rights. Analyses of structures, synthetic methodologies, and properties of reported variable stoichiometry organic cocrystals in the past decade have been conducted, with discussions on their controlled production for drug formulation purposes. This review also aims to provide an understanding of the factors responsible for the variation in stoichiometry in cocrystals, which mainly stems from differences in properties covered by intellectual property rights.

CRYSTENGCOMM (2021)

Review Chemistry, Multidisciplinary

Halogen Bonding in Two-Dimensional Crystal Engineering

Joan Teyssandier et al.

CHEMISTRYOPEN (2020)

Article Chemistry, Multidisciplinary

From a Binary to a Quaternary Cocrystal: An Unusual Supramolecular Synthon

Mithun Paul et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2019)

Article Chemistry, Multidisciplinary

Six-Component Molecular Solids: ABC[D1-(x plus y)ExFy]2

Mithun Paul et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2018)

Article Chemistry, Multidisciplinary

Competition between hydrogen bonds and halogen bonds: a structural study

Janaka C. Gamekkanda et al.

NEW JOURNAL OF CHEMISTRY (2018)

Article Chemistry, Multidisciplinary

Cosublimation: A Rapid Route Toward Otherwise Inaccessible Halogen-Bonded Architectures

Patrick M. J. Szell et al.

CRYSTAL GROWTH & DESIGN (2018)

Review Chemistry, Multidisciplinary

The Halogen Bond

Gabriella Cavallo et al.

CHEMICAL REVIEWS (2016)

Article Chemistry, Multidisciplinary

Sequential Halogen Bonding with Ditopic Donors: σ-Hole Evolutions upon Halogen Bond Formation

Irene Nicolas et al.

CRYSTAL GROWTH & DESIGN (2016)

Article Chemistry, Multidisciplinary

Competition between Halogen Bonds in Cocrystals of Imines Derived from o-Vanillin

Marija Zbacnik et al.

CRYSTAL GROWTH & DESIGN (2016)

Article Chemistry, Multidisciplinary

Uncommon halogen bond motifs in cocrystals of aromatic amines and 1,4-diiodotetrafluorobenzene

Vinko Nemec et al.

CRYSTENGCOMM (2016)

Article Chemistry, Multidisciplinary

Finding the Perfect Match: Halogen vs Hydrogen Bonding

Tanya Shirman et al.

CRYSTAL GROWTH & DESIGN (2015)

Article Chemistry, Multidisciplinary

Competition between Hydrogen and Halogen Bonding Interactions: Theoretical and Crystallographic Studies

Firas F. Awwadi et al.

CRYSTAL GROWTH & DESIGN (2014)

Article Chemistry, Multidisciplinary

Definition of the halogen bond (IUPAC Recommendations 2013)

Gautam R. Desiraju et al.

PURE AND APPLIED CHEMISTRY (2013)

Article Chemistry, Multidisciplinary

ShelXle: a Qt graphical user interface for SHELXL

Christian B. Huebschle et al.

JOURNAL OF APPLIED CRYSTALLOGRAPHY (2011)

Article Chemistry, Multidisciplinary

Rational Modification of the Hierarchy of Intermolecular Interactions in Molecular Crystal Structures by Using Tunable Halogen Bonds

Guillermo Minguez Espallargas et al.

CHEMISTRY-A EUROPEAN JOURNAL (2009)

Article Chemistry, Multidisciplinary

Role of Cocrystal and Solution Chemistry on the Formation and Stability of Cocrystals with Different Stoichiometry

Adivaraha Jayasankar et al.

CRYSTAL GROWTH & DESIGN (2009)

Article Chemistry, Multidisciplinary

Halogen bonds as orthogonal molecular interactions to hydrogen bonds

Andrea Regier Voth et al.

NATURE CHEMISTRY (2009)

Article Chemistry, Multidisciplinary

Towards Prediction of Stoichiometry in Crystalline Multicomponent Complexes

Aurora J. Cruz-Cabeza et al.

CHEMISTRY-A EUROPEAN JOURNAL (2008)

Article Chemistry, Multidisciplinary

A stepwise mechanism for the mechanochemical synthesis of halogen-bonded cocrystal architectures

Dominik Cincic et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)

Article Chemistry, Multidisciplinary

A short history of SHELX

George M. Sheldrick

ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES (2008)

Article Chemistry, Multidisciplinary

Structural competition between hydrogen bonds and halogen bonds

Christer B. Aakeroey et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)

Article Chemistry, Multidisciplinary

Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces

Joshua J. McKinnon et al.

CHEMICAL COMMUNICATIONS (2007)

Article Chemistry, Multidisciplinary

Fingerprinting intermolecular interactions in molecular crystals

MA Spackman et al.

CRYSTENGCOMM (2002)