Table of Contents
Journal of Crystallography
Volume 2014, Article ID 862067, 9 pages
http://dx.doi.org/10.1155/2014/862067
Research Article

Crystal Structure, Spectral Studies, and Hirshfeld Surfaces Analysis of 5-Methyl-5H-dibenzo[b,f]azepine and 5-(4-Methylbenzyl)-5H-dibenzo[b,f]azepine

1Department of Studies in Physics, University of Mysore, Manasagangotri, Mysore 570006, India
2Department of Studies in Chemistry, University of Mysore, Manasagangotri, Mysore 570006, India
3Department of Studies in Microbiology, University of Mysore, Manasagangotri, Mysore 570006, India

Received 30 September 2013; Revised 8 December 2013; Accepted 14 February 2014; Published 19 May 2014

Academic Editor: Lígia R. Gomes

Copyright © 2014 Madan Kumar Shankar et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Supplementary Material

DEPT 13C NMR (distortion less enhancement by polarization transfer) studies are useful to differentiate between primary, secondary, and quaternary carbons. Here primary (C-H) and tertiary carbon (-CH3) peaks were shown in upwards, secondary carbons (-CH2) peaks were shown in downwards, and quaternary carbon peaks were suppressed or not appeared. 1H, 13C NMR spectral and DEPT study results are given.

Compound 1: 5-methyl-5H-dibenzo[b,f]azepine

13C NMR (100 MHz, CDCl3): δ 152.28, 132.81, 132.42, 129.21, 128.90, 123.15, 118.82, 39.30.

DEPT 13C NMR:

CH/CH3 up and CH2 down: δ 152.28, 132.81, 132.42, 129.21, 128.90, 123.15, 118.82, 39.30.

CH only: δ 132.42, 129.21, 128.90, 123.15, 118.82.

Compound 2: 5-(4-methylbenzyl)-5H-dibenzo[b,f]azepine

13C NMR (100 MHz, CDCl3): δ 150.52, 135.87, 134.51, 133.48, 131.92, 128.87, 128.70, 128.53, 128.28, 128.13, 127.50, 122.90, 120.15, 54.32, 20.70.

DEPT 13C NMR:

CH/CH3 up and CH2 down: δ 150.52, 135.87, 134.51, 133.48, 131.92, 128.87, 128.70, 128.53, 128.28, 128.13, 127.50, 122.90, 120.15, 54.32, 20.70.

CH only: δ 131.92, 128.87, 128.70, 128.53, 128.28, 128.13, 127.50, 122.90, 120.15.

  1. Supplementary Material