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

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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.

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Acknowledgments

AKT acknowledge DST India Grant no. SR/S1/OC-42/2012 for financial assistance. Department of Chemistry and Department of Anatomy (IMS), Banaras Hindu University, Varanasi, India are acknowledged for departmental facilities and TEM facility respectively. We thanks to Prof. O. N. Shrivastava Department of Physics, BHU for interpreting the TEM results. SKR also acknowledges to CSIR-New Delhi for SRF.

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Authors and Affiliations

  1. Department of Chemistry (Center of Advanced Studies), Faculty of Science, Banaras Hindu University, Varanasi, 221005, India

    Sunil Kumar Rai, Priyanka Srivastava & Ashish Kumar Tewari

  2. Analytical Discipline and Centralized Instrument Facility, CSMCRI, Gijubhai Badheka Marg, Bhavnagar, 364021, Gujarat, India

    Hariom Gupta

  3. Departamento de Ciencia de los, Materiales e Ingenieria Metalurgica, Facultad de Ciencias, Campus Universitario del Rio San Pedro, 11510, Puerto Real, Spain

    Maria del C. Puerta & Pedro Valerga

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  1. Sunil Kumar Rai
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  2. Priyanka Srivastava
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  3. Hariom Gupta
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  4. Maria del C. Puerta
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  5. Pedro Valerga
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  6. Ashish Kumar Tewari
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Correspondence to Ashish Kumar Tewari.

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Rai, S.K., Srivastava, P., Gupta, H. et al. Unusual reverse face-to-face stacking in propylene linked pyrazole system: perspective of organic materials. Struct Chem 26, 555–563 (2015). https://doi.org/10.1007/s11224-014-0512-5

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  • DOI: https://doi.org/10.1007/s11224-014-0512-5

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