Halogen⋯halogen contacts for the stabilization of a new polymorph of 9,10-dichloroanthracene

A new polymorph of 9,10-dichloroanthracene (9,10-DCA) namely as γ form, was obtained. The crystal structure of the γ polymorphic system showed an orthorhombic P212121 space group with a = 3.8957(2) Å, b = 15.9383(5) Å, c = 17.3107(7) Å, α = β = γ = 90°, while the other polymorphs, α and β, crystalli...

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Detalles Bibliográficos
Autores principales: Foi, A., Corrêa, R.S., Ellena, J., Doctorovich, F., Di Salvo, F.
Formato: JOUR
Materias:
9,10-Dichloroanthracene
Cl⋯Cl interactions
DFT-D
Halogen-bonding
Molecular conformation
Polymorphism
Dispersion correction
Electronic structure calculations
Halogen bonding
Intermolecular interactions
Stacking interaction
Chlorine compounds
Electronic structure
Hydrogen bonds
Chlorine
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00222860_v1059_n1_p1_Foi
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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