Hirshfeld and Vibrational Analysis of 5-Benzyl-7a-hydroxy-1-methyl-2,3,5,6,7,7a-hexahydro-1H-3a,7-methanoindeno [2,1-d]pyrrolo[3,2-c]azepine-12,13(4H)-dione

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Pangajavalli, S; Ranjithkumar, R; Sridhar, B; Ramaswamy, S

Hirshfeld and Vibrational Analysis of 5-Benzyl-7a-Hydroxy-1-Methyl-2,3,5,6,7,7a-Hexahydro-1H-3a, 7-Methanoindeno [2,1-d]Pyrrolo[3,2-c]Azepine-12,13(4H)-Dione Journal Article

Mechanics, Materials Science & Engineering, 12 , 2018, ISSN: 2412-5954.

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Authors: S. Pangajavalli, R. Ranjithkumar, B. Sridhar, S. Ramaswamy

ABSTRACT. 5-Benzyl-7a-hydroxy-1-methyl-2,3,5,6,7,7a-hexahydro-1H-3a,7-methanoindeno[2,1-d]pyrrolo[3,2-c]azepine 12,13(4H)-dione crystals (C24H24N2O3) were grown and from single crystal XRD, the lattice parameters are a = 9.2706(9) Å, b = 19.7818(18) Å , c = 10.5006(10) Å ,α=90o ,β = 93.572(1) o , γ =90o and it belongs to Monoclinic (P21/c ) system. A detailed analysis of Hirshfeld surfaces and fingerprint plots were carried out through Crystal Explorer software to confirm the existence of intramolecular and other weak interactions. The Fourier transform infrared and Raman spectra of the crystal were studied and the observed IR and Raman lines were assigned.

Keywords: Pyrroloazepine, hydrogen bonding, Hirshfeld surfaces, FTIR spectrum, Raman spectrum

DOI 10.2412/mmse.4.88.335

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