1293914-05-2

Basic information

• Product Name: C₄H₄N₂*C₆H₂F₄O₂
• CAS NO: 1293914-05-2
• Molecular Weight: 262.163
• Mol File: 1293914-05-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₄H₄N₂*C₆H₂F₄O₂(CAS DataBase Reference)
• NIST Chemistry Reference: C₄H₄N₂*C₆H₂F₄O₂(1293914-05-2)
• EPA Substance Registry System: C₄H₄N₂*C₆H₂F₄O₂(1293914-05-2)

Safety Data

• Hazardous Substances Data: 1293914-05-2(Hazardous Substances Data)

Upstream product

• 290-37-9 1,4-pyrazine 
• 771-63-1 2,3,5,6-tetrafluoro-1,4-benzenediol 

Relevant articles and documents

Cocrystals of 2,3,5,6-tetra-fluoro-benzene-1,4-diol with diaza aromatic compounds

2,3,5,6-Tetra-fluoro-benzene-1,4-diol easily forms cocrystals with heteroaromatic bases containing the pyrazine unit. In the 1:1 complexes with pyrazine, C6H246O2·C 4H4N2, (I), and quinoxaline, C 6H2F4O2·C8H 6N2, (II), the crystal components are linked via O - H...N hydrogen bonds into one-dimensional chains. With the largest base, phenazine, the 1:2 benzenediol-phenazine complex, C6H 2F4O2·2C12H8N 2, (III), was obtained, with the mol-ecules linked via O - H...N inter-actions into a discrete heterotrimer. In all three cocrystals, the two types of mol-ecules are organized into layers via softer C - H...O and C - H...F inter-actions and π-π stacking inter-actions, with stronger hydrogen bonds linking mol-ecules of adjacent layers. In (II) and (III), mol-ecules are arranged into heterostacks, whereas in (I) separate stacks are formed by the heterocyclic base and the benzene-diol molecule.