Two polymorphs of 8-hydroxycarbostyril: X-ray crystallography, solid-state NMR and DFT calculations

Journal of Molecular Structure

Volumn 1008, Issue , 2012, Pages 88-94

  Nieto, Carla I ^a   Angeles Garcia M ^a   Angeles Farran M ^a   Claramunt, Rosa M ^a   Carmen Torralba, M ^b   Rosario Torres, M ^b   Alkorta, Ibon ^c   Elguero, José ^c  

^a UNIVERSIDAD NACIONAL DE EDUCACIÓN A DISTANCIA   (Spain)

^b UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

^c INSTITUTO DE QUÍMICA MÉDICA   (Spain)

Author keywords

Crystal structure; DFT calculations; NMR; Polymorphism; Quinolones; Tautomerism

Indexed keywords

CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; HYDROGEN BONDS; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; POLYMORPHISM;

DFT CALCULATION; DFT CALCULATIONS; DFT-B3LYP; GASPHASE; MONOCLINIC SPACE GROUPS; ORTHORHOMBIC SPACE GROUPS; QUINOLONES; SOLID STATE NMR; TAUTOMERIC FORMS; TAUTOMERISM; THEORETICAL STUDY;

X RAY CRYSTALLOGRAPHY;

EID: 84962343806     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2011.11.029     Document Type: Article

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