Discovery of a New Polymorph of 5-Methoxy-1<i>H</i>-Indole-2-Carboxylic Acid: Characterization by X-ray Diffraction, Infrared Spectroscopy, and DFT Calculations

This study presents a new 5-methoxy-1<i>H</i>-indole-2-carboxylic acid (MI2CA) polymorph investigated by single-crystal X-ray diffraction, infrared spectroscopy, and density functional theory (ωB97X-D) calculations employing two basis sets (6-31++G(d,p) and aug-cc-pVTZ). The compound crystallizes in...

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Autores principales:	Julia Polak, Julia Bąkowicz, Barbara Morzyk-Ociepa
Formato:	Artigo
Lenguaje:	Inglês
Publicado:	MDPI AG 2024-05-01
Colección:	Molecules
Materias:	5-methoxyindole-2-carboxylic acid polymorph crystal structure IR spectroscopy DFT
Acceso en línea:	https://www.mdpi.com/1420-3049/29/10/2201
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