Concepedia

A comprehensive analysis of the molecular packing in the crystal of (4-methoxyphenyl)methyl 4-(4-chlorophenyl)-1,3-thiazole-2-carboxylate: Insights of X-ray crystallography and DFT analysis

S. Neetha, Chikkappaiahnayaka Santhosh, Kalleshappa Sheela, Ravi Singh K., Sridhar M.A., Sadashiva M.P.

Journal of Molecular Structure · 2024 · 15 citations · 41 references

Concepts

Natural SciencesChemistryComputational ChemistryCrystal StructureCrystal ChemistryCrystallographyMolecular StructureStructure DeterminationX-ray CrystallographyX-ray DiffractionCrystal Structure DeterminationMolecular CrystallographyMolecular PackingMolecular Packing AnalysisPackingSmall-molecule CrystallographyThiazole ChemistryX-ray Crystallography-based Structure Determination

References

41

VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations

Natural Sciences, Biophysics, Physics +12

Multiwfn: A multifunctional wavefunction analyzer

Tian Lu, Feiwu Chen · Journal of Computational Chemistry · 2011 · 43K citations

Natural Sciences, Chemistry, Visualization +15

<i>SHELXT</i>– Integrated space-group and crystal-structure determination

George M. Sheldrick · Acta Crystallographica Section A Foundations and Advances · 2014 · 28.6K citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +16

Structure validation in chemical crystallography

Anthony L. Spek · Acta Crystallographica Section D Biological Crystallography · 2009 · 15.3K citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +16

Revealing Noncovalent Interactions

Erin R. Johnson, Shahar Keinan, Paula Mori‐Sánchez et al. · Journal of the American Chemical Society · 2010 · 9.3K citations

Natural Sciences, Chemistry, Medicinal Chemistry +17