Solid-State Reactions and Polymorphism of Molecular Crystals

Department of Chemistry, Brandeis University


          View of a pair of inversion related, major-component reactant molecules of trans-2-butenoate superimposed on the major product component, (3S,4R)-rel-1-hexene-3,4-dicarboxylate; (b) the identical view with the reactant molecules removed. Reactants have green C atoms and gray H atoms, while product molecules have yellow C atoms and black H atoms. Disorder of the product molecule is not shown, and disorder of the O atoms was not resolved (view from 32-day gamma-ray irradiation; see Cryst. Growth Des. 2021, 21, 663-682; DOI: 10.1021/acs.cgd.0c01466)

oAbout the Foxman Research Group

oResearch : Current and Historical Summaries

oSolid-State Reaction Database: Significant Early Days

oFunding of Our Research and Outreach Activities

Joel Bernstein (1941-2019) Facts, Links and Videos

oJoel Bernstein Memorial Symposium Sponsored by Crystal Pharmatech

oSymmetry and Space Group Tutorial  (New, completely Mac-compatible version available 28 Dec 2015)

oCrystalline Insights: Lab Tutorial for High School and Freshman Science Students

oMemories of Giants: Dick Marsh, Philip Coppens and Howard Flack (BrukerMIT Symposium 24.02.18)

oSingle Crystal Diffractometry using the Apex2 Software : A Tutorial

oProgram for Analysis of Topotactic Relationships : TOPO 4.45 & instructions (.zip; runs in DOS window)

oProgram for Calculation of Twin Laws : OMEGA 2.10 & instructions (.zip; runs in DOS window)

oProgram for Unit Cell Calculations : CTOOL 2.0 & instructions (.zip; runs in DOS window)

oProgram for Twin Law Derivation from HKLF5 File : TLAW & Sample data (.zip; runs in DOS window)

oPowerPoint File From Bruker Twinning Workshop (October 2021)

Send content and research comments to Bruce Foxman (foxman1 at

Last updated 14 September 2021