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Unusual reverse face-to-face stacking in propylene linked pyrazole system: perspective of organic materials

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URI: http://hdl.handle.net/10498/20444

DOI: 10.1007/s11224-014-0512-5

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2015-Unusual reverse face-to-face stacking in propylene linked pyrazole system. Perspective of organic materials.pdf (1.151Mb)
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Author/s
Kumar Rai, Sunil; Srivastava, Priyanka; Gupta, Hariom; Puerta Vizcaino, María del Carmen; Valerga Jiménez, Pedro Sixto; Kumar Tewari, Ashish
Date
2015
Department
Ciencia de los Materiales e Ingeniería Metalúrgica y Química Inorgánica
Source
Structural Chemistry (2015) 26:555–563
Abstract
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.
Subjects
2D NOESY; Density functional theory; Noncovalent interactions; Pyrazole; Single crystal X-ray diffraction; Transmission electron microscopy
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  • Artículos Científicos [4817]
  • Articulos Científicos CC. Mat. [195]
  • Artículos Científicos INBIO [264]
Attribution-NonCommercial-NoDerivatives 4.0 Internacional
This work is under a Creative Commons License Attribution-NonCommercial-NoDerivatives 4.0 Internacional

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