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

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

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dc.contributor.author Kumar Rai, Sunil
dc.contributor.author Srivastava, Priyanka
dc.contributor.author Gupta, Hariom
dc.contributor.author Puerta Vizcaino, María del Carmen
dc.contributor.author Valerga Jiménez, Pedro Sixto
dc.contributor.author Kumar Tewari, Ashish
dc.contributor.other Ciencia de los Materiales e Ingeniería Metalúrgica y Química Inorgánica en_US
dc.date.accessioned 2018-05-04T10:13:54Z
dc.date.available 2018-05-04T10:13:54Z
dc.date.issued 2015
dc.identifier.uri http://hdl.handle.net/10498/20444
dc.description.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. en_US
dc.format application/pdf en_US
dc.language.iso eng en_US
dc.publisher Springer en_US
dc.rights Attribution-NonCommercial-NoDerivatives 4.0 Internacional *
dc.rights info:eu-repo/semantics/openAccess
dc.rights.uri http://creativecommons.org/licenses/by-nc-nd/4.0/ *
dc.source Structural Chemistry (2015) 26:555–563 en_US
dc.subject 2D NOESY en_US
dc.subject Density functional theory en_US
dc.subject Noncovalent interactions en_US
dc.subject Pyrazole en_US
dc.subject Single crystal X-ray diffraction en_US
dc.subject Transmission electron microscopy en_US
dc.title Unusual reverse face-to-face stacking in propylene linked pyrazole system: perspective of organic materials en_US
dc.type info:eu-repo/semantics/article en_US
dc.identifier.doi 10.1007/s11224-014-0512-5

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