Literature DB >> 23750552

Crystal engineering: from molecule to crystal.

Gautam R Desiraju1.   

Abstract

How do molecules aggregate in solution, and how do these aggregates consolidate themselves in crystals? What is the relationship between the structure of a molecule and the structure of the crystal it forms? Why do some molecules adopt more than one crystal structure? Why do some crystal structures contain solvent? How does one design a crystal structure with a specified topology of molecules, or a specified coordination of molecules and/or ions, or with a specified property? What are the relationships between crystal structures and properties for molecular crystals? These are some of the questions that are being addressed today by the crystal engineering community, a group that draws from the larger communities of organic, inorganic, and physical chemists, crystallographers, and solid state scientists. This Perspective provides a brief historical introduction to crystal engineering itself and an assessment of the importance and utility of the supramolecular synthon, which is one of the most important concepts in the practical use and implementation of crystal design. It also provides a look to the future from the viewpoint of the author, and indicates some directions in which this field might be moving.

Mesh:

Substances:

Year:  2013        PMID: 23750552     DOI: 10.1021/ja403264c

Source DB:  PubMed          Journal:  J Am Chem Soc        ISSN: 0002-7863            Impact factor:   15.419


  78 in total

1.  Topological insights into the 1/1 diacetyl/water complex gained using a new methodological approach.

Authors:  D Dargent; E L Zins; B Madebène; M E Alikhani
Journal:  J Mol Model       Date:  2015-07-30       Impact factor: 1.810

2.  Crystal engineering: Covalent crystal growth.

Authors:  Michael Mastalerz
Journal:  Nat Chem       Date:  2013-10       Impact factor: 24.427

3.  Understanding the Tabletability Differences between Indomethacin Polymorphs Using Powder Brillouin Light Scattering.

Authors:  Beth A Young; Dherya Bahl; Lewis L Stevens
Journal:  Pharm Res       Date:  2019-08-19       Impact factor: 4.200

4.  Assessing the Conformational Equilibrium of Carboxylic Acid via Quantum Mechanical and Molecular Dynamics Studies on Acetic Acid.

Authors:  Victoria T Lim; Christopher I Bayly; Laszlo Fusti-Molnar; David L Mobley
Journal:  J Chem Inf Model       Date:  2019-02-21       Impact factor: 4.956

5.  Crystal Engineering Construction of Caffeic Acid Derivatives with Potential Applications in Pharmaceuticals and Degradable Polymeric Materials.

Authors:  Zhihan Wang; Quinton Flores; Hongye Guo; Raquel Trevizo; Xiaochan Zhang; Shihan Wang
Journal:  CrystEngComm       Date:  2020-10-26       Impact factor: 3.545

6.  Optimizing a coarse-grained space for approximate normal-mode vibrations of molecular heterodimers.

Authors:  Makoto Isogai; Masataka Seshimo; Hirohiko Houjou
Journal:  J Mol Model       Date:  2021-04-27       Impact factor: 1.810

7.  Two-dimensional materials: Crystallized creations in 2D.

Authors:  Neil R Champness
Journal:  Nat Chem       Date:  2014-07-27       Impact factor: 24.427

8.  Accessing New Charge-Transfer Complexes by Mechanochemistry: A Tetrathiafulvalene Chloranilic Acid Polymorph Containing Segregated Tetrathiafulvalene Stacks.

Authors:  Jeffrey Jones; Vinh Ta Phuoc; Leire Del Campo; Nestor E Massa; Craig M Brown; Silvina Pagola
Journal:  Cryst Growth Des       Date:  2019       Impact factor: 4.076

9.  A novel dihydrocoumarin under experimental and theoretical characterization.

Authors:  W F Vaz; J M F Custodio; N M N Rodrigues; L G Santin; S S Oliveira; R Gargano; F A P Osório; G L B Aquino; A J Camargo; M S Oliveira; H B Napolitano
Journal:  J Mol Model       Date:  2017-10-18       Impact factor: 1.810

10.  Toward polarizable AMOEBA thermodynamics at fixed charge efficiency using a dual force field approach: application to organic crystals.

Authors:  Ian J Nessler; Jacob M Litman; Michael J Schnieders
Journal:  Phys Chem Chem Phys       Date:  2016-11-09       Impact factor: 3.676

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