XRD, vibrational spectra and quantum chemical studies of an anticancer drug: 6-Mercaptopurine.

Kumar, S Suresh; Athimoolam, S; Sridhar, B

Kumar, S Suresh; Athimoolam, S; Sridhar, B.

Affiliation

Kumar SS; Department of Physics, University College of Engineering Nagercoil, Anna University, Nagercoil 629 004, India.
Athimoolam S; Department of Physics, University College of Engineering Nagercoil, Anna University, Nagercoil 629 004, India. Electronic address: athi81s@yahoo.co.in.
Sridhar B; Laboratory of X-ray Crystallography, Indian Institute of Chemical Technology, 500 007 Hyderabad, India.

Spectrochim Acta A Mol Biomol Spectrosc ; 146: 204-13, 2015 Jul 05.

Article in En | MEDLINE | ID: mdl-25813177

Subject(s)

Antineoplastic Agents/chemistry; Mercaptopurine/chemistry; Models, Molecular; Hydrogen Bonding; X-Ray Diffraction

Key words

DFT; FT-IR; HOMOLUMO; Laser Raman; NBO; Single crystal XRD

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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Models, Molecular / Mercaptopurine / Antineoplastic Agents Language: En Journal: Spectrochim Acta A Mol Biomol Spectrosc Journal subject: BIOLOGIA MOLECULAR Year: 2015 Document type: Article Affiliation country: India Country of publication: United kingdom

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