Distinguishing tautomerism in the crystal structure of (Z)-N-(5-ethyl-2,3-dihydro-1,3,4-thiadiazol-2-ylidene)-4-methylbenzenesulfonamide using DFT-D calculations and13C solid-state NMR

Polymorphs, hydrates and solvates of a co-crystal of caffeine with anthranilic acid

(2014) Nadeesh Madusanka et al.   Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials

Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt

(2014) Palash Sanphui et al.   IUCrJ

Zipping and Unzipping of a Paddlewheel Metal-Organic Framework to Enable Two-Step Synthetic and Structural Transformation

(2013) Paul Smart et al.   CHEMISTRY-A EUROPEAN JOURNAL

NMR crystallography methods to probe complex hydrogen bonding networks: application to structure elucidation of anhydrous quercetin

(2013) Xenia Filip et al.   CRYSTENGCOMM

Synthesis, Crystal Structure, and Solid-State NMR Investigations of Heteronuclear Zn/Co Coordination Networks — A Comparative Study

(2013) Anusree Viswanath Kuttatheyil et al.   INORGANIC CHEMISTRY

Exploiting the Synergy of Powder X-ray Diffraction and Solid-State NMR Spectroscopy in Structure Determination of Organic Molecular Solids

(2013) Dmytro V. Dudenko et al.   Journal of Physical Chemistry C

Complex Polymorphic System of Gallic Acid—Five Monohydrates, Three Anhydrates, and over 20 Solvates

(2012) Doris E. Braun et al.   CRYSTAL GROWTH & DESIGN

Complementing High-Throughput X-ray Powder Diffraction Data With Quantum–Chemical Calculations: Application to Piroxicam Form III

(2012) Kaisa Naelapää et al.   JOURNAL OF PHARMACEUTICAL SCIENCES

The Thermodynamically Stable Form of Solid Barbituric Acid: The Enol Tautomer

(2011) Martin U. Schmidt et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Accurate Hydrogen Positions in Organic Crystals: Assessing a Quantum-Chemical Aide

(2011) Volker L. Deringer et al.   CRYSTAL GROWTH & DESIGN

Structure of N-(5-ethyl-[1,3,4]-thiadiazole-2-yl)toluenesulfonamide by combined X-ray powder diffraction, 13C solid-state NMR and molecular modelling

(2010) Adriana Hangan et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

Validation of experimental molecular crystal structures with dispersion-corrected density functional theory calculations

(2010) Jacco van de Streek et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution1H Solid-State NMR Spectroscopy

(2010) Elodie Salager et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mercury CSD 2.0– new features for the visualization and investigation of crystal structures

(2008) Clare F. Macrae et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY