Molecular and crystal structure, lattice energy and DFT calculations of two 2′-(nitrobenzoyloxy)acetophenone isomers

Molecular and crystal structure, lattice energy and DFT calculations of two 2′-(nitrobenzoyloxy)acetophenone isomers

The two isomers 2′-(4-nitrobenzoyloxy)acetophenone (systematic name: 2-acetylphenyl 4-nitrobenzoate) (I) and 2′-(2-nitrobenzoyloxy)acetophenone (systematic name: 2-acetylphenyl 2-nitrobenzoate) (II), both C15H11NO5, with para and ortho positions of the nitro substituent have been crystallized and st...

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Bibliographic Details
Main Authors: Georgii Bogdanov, Jenna Bustos, Viktor Glebov, Evgenii Oskolkov, John P. Tillotson, Tatiana V. Timofeeva
Format: Article
Language:English
Published: International Union of Crystallography 2020-06-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
2′-(nitrobenzoyloxy)acetophenone isomers
crystal structure
molecular conformation
dft calculations
lattice energy
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989020006295

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http://scripts.iucr.org/cgi-bin/paper?S2056989020006295

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