Elucidation of crystal structures using Bragg's peaks and Nuclear Magnetic Resonance chemical shifts for polymorphic forms of (E)-4-Bromo-2-[(phenylimino)methyl]phenol

Article Materials Science, Multidisciplinary

Synthesis, crystal structure, DFT, docking and biological activity studies of (NZ,N'Z)-3,3'-(piperazine-1,4-diyl)bis(N-(-4-methyl benzylidene)propane-1-amine)

V Sriraman et al.

Summary: The newly synthesized compound PMP exhibited excellent antibacterial and antioxidant properties, as well as high binding affinity, showing promising anticancer effects in breast cancer cells.

MATERIALS CHEMISTRY AND PHYSICS (2022)

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Article Chemistry, Multidisciplinary

Chains or rings? Polymorphism of an isoniazid derivative derivatized with diacetone alcohol

Matthew C. Scheepers et al.

Summary: This study obtained two crystal forms (I and II) of isoniazid through a chemical reaction, and based on experimental and computational evidence, it was concluded that form II is the most stable form.

RSC ADVANCES (2022)

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Article Materials Science, Characterization & Testing

Crystal structure from laboratory X-ray powder diffraction data, DFT-D calculations, Hirshfeld surface analysis, and energy frameworks of a new polymorph of 1-benzothiophene-2-carboxylic acid

Analio J. Dugarte-Dugarte et al.

Summary: This study presents the crystal structure of a new polymorph of 1-benzothiophene-2-carboxylic acid (BTCA), determined from laboratory X-ray powder diffraction data and refined using the Rietveld method. The structure features a complex 3D arrangement with hydrogen-bonded dimers of BTCA molecules and various intermolecular interactions, such as pi stacking and hydrogen bonding. A comparison with previously reported polymorphs and related compounds is also provided.

POWDER DIFFRACTION (2021)

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Article Materials Science, Multidisciplinary

Williamson-Hall based X-ray peak profile evaluation and nano-structural characterization of rod-shaped hydroxyapatite powder for potential dental restorative procedures

Supriya Rattan et al.

Summary: In this study, nanometer-scale hydroxyapatite powders with rod-like shapes were prepared using a combined ultrasonic and microwave heating approach. Subsequent annealing generated nanoparticles with rectangular and granular morphology. Characterization techniques such as X-ray diffraction and Fourier transform infrared spectroscopy were utilized to study the particles, showing highly crystalline nature and morphology similar to dental hard tissues.

AIMS MATERIALS SCIENCE (2021)

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Article Chemistry, Multidisciplinary