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X-ray structure, hydrogen bonding and lattice energy analysis of (2E)-1-(anthracen-9-yl)-3-(4-substitutedphenyl)prop-2-en-1-ones

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Abstract

(2E)-1-(anthracen-9-yl)-3-(4-chlorophenyl)prop-2-en-1-ones and (2E)-1-(anthracen-9-yl)-3-(4-nitrophenyl) prop-2-en-1-ones crystallize in the monoclinic crystal system with space group P2 1 /c. Single-crystal X-ray diffraction data for both the compounds were collected on an X’Calibur CCD area detector diffractometer (Oxford Diffraction) using MoKa radiation (λ= 0.7107 Å) at 293(2) K. The crystal structures were solved by direct methods and refined by full-matrix least-square procedures to a final R value of 0.0468 [I] and 0.0486 [II]. The crystal structures as elucidated by X-ray diffraction methods show the presence of a few intermolecular interactions, and the nature and energetics associated with these interactions have been characterized using PIXEL software.

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Acknowledgements

RK acknowledges the Department of Science and Technology for the Single-Crystal X-ray Diffractometer sanctioned as a National Facility under Project No. SR/S2/CMP-47/2003. BN thanks UGC for financial assistance through BSR one-time grant for the purchase of chemicals. VVS thanks Mangalore University for research facilities.

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Authors and Affiliations

  1. Department of Studies in Chemistry, Mangalore University, Mangalagangothri, 574 199, India

    VINUTHA V SALIAN, B NARAYANA & K BYRAPPA

  2. Department of Studies in Chemistry—Industrial Chemistry Division, Mangalore University, Mangalagangothri, 574 199, India

    B K SAROJINI

  3. X-ray Crystallography Laboratory, Post-Graduate Department of Physics and Electronics, University of Jammu, Jammu Tawi, 180 006, India

    RAJNI KANT

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  1. VINUTHA V SALIAN
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  2. B NARAYANA
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SALIAN, V.V., NARAYANA, B., BYRAPPA, K. et al. X-ray structure, hydrogen bonding and lattice energy analysis of (2E)-1-(anthracen-9-yl)-3-(4-substitutedphenyl)prop-2-en-1-ones. Bull Mater Sci 39, 1851–1860 (2016). https://doi.org/10.1007/s12034-016-1324-6

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