Structural and theoretical studies of 4-chloro-2-methyl-6-oxo-3,6-dideuteropyrimidin-1-ium chloride (d6)

Structural and theoretical studies of 4-chloro-2-methyl-6-oxo-3,6-dideuteropyrimidin-1-ium chloride (d6)

The title compound, C5D6ClN2O+·Cl−, crystallizes in the orthorhombic space group, Pbcm, and consists of a 4-chloro-2-methyl-6-oxo-3,6-dihydropyrimidin-1-ium cation and a chloride anion where both moieties lie on a crystallographic mirror. The cation is disordered and was refined as two equivalent fo...

Full description

Bibliographic Details
Main Authors: Ray J. Butcher, Andrew P. Purdy, Sean A. Fischer, Daniel Gunlycke
Format: Article
Language:English
Published: International Union of Crystallography 2021-04-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
pyrimidinium cation
distorted sp2 c
Online Access:http://scripts.iucr.org/cgi-bin/paper?S205698902100270X

Internet

http://scripts.iucr.org/cgi-bin/paper?S205698902100270X

Similar Items