%0 Journal Article 
%A Kumar Rai, Sunil
%A Srivastava, Priyanka
%A Gupta, Hariom
%A Puerta Vizcaino, María del Carmen
%A Valerga Jiménez, Pedro Sixto
%A Kumar Tewari, Ashish
%T Unusual reverse face-to-face stacking in propylene linked pyrazole system: perspective of organic materials
%D 2015
%U http://hdl.handle.net/10498/20444
%X Flexible dimers 1, 2, and 3 of ‘‘pyrazole’’ derivatives linked with propylene spacer are synthesized and conformational stability in solid, solution, and gaseous states is studied through single crystal X-ray diffraction, 2D NOESY ,and DFT, respectively. The folded conformation of compound 2 is stable in all three states and X-ray diffraction evince that molecule is intramolecularly stacked in reverse face-to-face manner. TEM image of compound 2 exhibits rigid hollow nanospikes with high tendency to form agglomerates.
%K 2D NOESY
%K Density functional theory
%K Noncovalent interactions
%K Pyrazole
%K Single crystal X-ray diffraction
%K Transmission electron microscopy
%~ Universidad de Cádiz