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Title: Synthesis and Crystal Structure of 7,8,9,10-Tetrahydro-2-bromo-cyclohepta[b]indol-6(5H)-one

Abstract

The title compound, C{sub 13}H{sub 12}BrNO, was synthesized and characterised by IR, {sup 1}H and {sup 13}C NMR spectroscopy. The proposed structure was confirmed by single crystal X-ray diffraction. The single crystal data revealed that the compound crystallizes in the triclinic system, sp. gr. P1, with Z = 2. The sevenmembered ring exhibits a slightly distorted envelope conformation. N–H···O hydrogen bonds form a centrosymmetric dimer, these interactions create a stair-like chain of molecules that interacts only loosely with neighbouring chains via van der Waals interactions, and C–H···π contacts are found in the crystal structure.

Authors:
; ; ; ;  [1]
  1. Kongunadu Arts and Science College, Department of Chemistry (India)
Publication Date:
OSTI Identifier:
22758304
Resource Type:
Journal Article
Journal Name:
Crystallography Reports
Additional Journal Information:
Journal Volume: 62; Journal Issue: 7; Other Information: Copyright (c) 2017 Pleiades Publishing, Inc.; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1063-7745
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; CARBON 13; CRYSTAL STRUCTURE; DIMERS; HYDROGEN; HYDROGEN 5; INFRARED SPECTRA; INTERACTIONS; MOLECULES; MONOCRYSTALS; NUCLEAR MAGNETIC RESONANCE; RINGS; SPECTROSCOPY; SYNTHESIS; VAN DER WAALS FORCES; X-RAY DIFFRACTION

Citation Formats

Amuthavalli, A., Edison, D., Prakash, B., Sivaramkumar, M. S., and Velmurgan, R., E-mail: velmuruganchemist57@gmail.com. Synthesis and Crystal Structure of 7,8,9,10-Tetrahydro-2-bromo-cyclohepta[b]indol-6(5H)-one. United States: N. p., 2017. Web. doi:10.1134/S1063774517070033.
Amuthavalli, A., Edison, D., Prakash, B., Sivaramkumar, M. S., & Velmurgan, R., E-mail: velmuruganchemist57@gmail.com. Synthesis and Crystal Structure of 7,8,9,10-Tetrahydro-2-bromo-cyclohepta[b]indol-6(5H)-one. United States. doi:10.1134/S1063774517070033.
Amuthavalli, A., Edison, D., Prakash, B., Sivaramkumar, M. S., and Velmurgan, R., E-mail: velmuruganchemist57@gmail.com. Fri . "Synthesis and Crystal Structure of 7,8,9,10-Tetrahydro-2-bromo-cyclohepta[b]indol-6(5H)-one". United States. doi:10.1134/S1063774517070033.
@article{osti_22758304,
title = {Synthesis and Crystal Structure of 7,8,9,10-Tetrahydro-2-bromo-cyclohepta[b]indol-6(5H)-one},
author = {Amuthavalli, A. and Edison, D. and Prakash, B. and Sivaramkumar, M. S. and Velmurgan, R., E-mail: velmuruganchemist57@gmail.com},
abstractNote = {The title compound, C{sub 13}H{sub 12}BrNO, was synthesized and characterised by IR, {sup 1}H and {sup 13}C NMR spectroscopy. The proposed structure was confirmed by single crystal X-ray diffraction. The single crystal data revealed that the compound crystallizes in the triclinic system, sp. gr. P1, with Z = 2. The sevenmembered ring exhibits a slightly distorted envelope conformation. N–H···O hydrogen bonds form a centrosymmetric dimer, these interactions create a stair-like chain of molecules that interacts only loosely with neighbouring chains via van der Waals interactions, and C–H···π contacts are found in the crystal structure.},
doi = {10.1134/S1063774517070033},
journal = {Crystallography Reports},
issn = {1063-7745},
number = 7,
volume = 62,
place = {United States},
year = {2017},
month = {12}
}