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Crystal Structure of 3-[1-(4-Methylphenyl)-9,10-dihydro-4-azaphenanthren-3-yl]benzo[f]coumarin

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Abstract

The crystal structure of the title compound is determined by single crystal X-ray structure analysis. The structure was solved by direct method and refined to a final R-value of 0.0469 for 2826 observed reflections. The benzocoumarin ring system is planar. The central ring of 4-azaphenantrene moiety has a half chair conformation, phenyl substituent forms dihedral angle of 56.46° with the mean plane of 4-azaphenantrene system. The coumarin system is rotated relative to the latter by 15.48(2)°. This orientation is stabilized by two weak intramolecular C–H···N hydrogen bonds.

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ACKNOWLEDGMENTS

The author acknowledges Dr. Rajnikant, Professor, Post-Graduate Department of Physics, University of Jammu, Jammu Tawi-180 006, India, for the single-crystal X-ray diffractometer data.

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Authors and Affiliations

  1. Government Boys Higher Secondary School, Akhnoor, Jammu (J & K), India

    Deepak Sharma

  2. Government Degree College Ramnagar, Jammu (J & K), India

    Naresh Sharma

  3. Department of Chemistry, Sardar Patel University, Vallabh Vidyanagar, Gujarat, India

    D. I. Brahmbhatt

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

    Vivek K. Gupta

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  1. Deepak Sharma
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  2. Naresh Sharma
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  3. D. I. Brahmbhatt
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  4. Vivek K. Gupta
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Correspondence to Vivek K. Gupta.

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Sharma, D., Sharma, N., Brahmbhatt, D.I. et al. Crystal Structure of 3-[1-(4-Methylphenyl)-9,10-dihydro-4-azaphenanthren-3-yl]benzo[f]coumarin. Crystallogr. Rep. 64, 1047–1050 (2019). https://doi.org/10.1134/S1063774519070198

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  • DOI: https://doi.org/10.1134/S1063774519070198

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