Journal
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS
Volume 59, Issue -, Pages O672-O675Publisher
BLACKWELL MUNKSGAARD
DOI: 10.1107/S0108270103023230
Keywords
-
Categories
Ask authors/readers for more resources
The title Schiff base compound, N,N'-bis(pyrrol-2-ylmethylene) propane-1,2-diamine, C13H16N4, forms an interesting supramolecular structure ( a one-dimensional ladder-like polymer) in the solid state that is based on the existence of complementary intermolecular N - H...N=C hydrogen bonds between the monomer units. The polymer axis is collinear with the c axis of the orthorhombic unit cell. Quantum-chemical AM1 calculations clearly indicate that self-recognition in this system by hydrogen bonding is favoured on electrostatic grounds, since the partial atomic charge on the H atom of the pyrrole NH group (0.274 e) complements the partial atomic charge of the N atom of the C=N group (-0.239 e) on a neighbouring molecule.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available