Title: Triple hydrogen bonds direct crystal engineering of metal-assembled complexes: the effect of a novel organic-inorganic module on supramolecular structure.
Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20051104
Chemical Name:
1,4,5,6-Tetrahydro-5,6-dioxo-2,3-pyrazinedicarbonitrile
CAS Number:
36023-64-0
Molecular Formula:
C6H2N4O2
Molecular Weight:
162.1057
MDL Number:
MFCD00191690
SMILES:
N#Cc1[nH]c(=O)c(=O)[nH]c1C#N
Properties
Form:
Solid
Storage:
Keep in dry area;Room Temperature;
Complexity:
350
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Rotatable Bond Count:
0
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
Literature
Title: Triple hydrogen bonds direct crystal engineering of metal-assembled complexes: the effect of a novel organic-inorganic module on supramolecular structure.
Journal: Chemistry (Weinheim an der Bergstrasse, Germany)20051104