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Title: Synthesis, spectral characterization, and single crystal structure studies of (2-nitro-ethene-1,1-diyl)-bis-((4-isopropyl-benzyl)sulfane)

The title compound (2-nitro-ethene-1,1-diyl)-bis-(4-isopropylbenzyl)sulfane) (5), was synthesised using a two step process. The structure of the product (5) was established by UV, FT-IR, {sup 1}H NMR, {sup 13}C NMR, C,H,N analysis, LC-MS and single crystal X-ray diffraction analysis. The single crystal of the title compound (5) was crystallized in Monoclinic with the space group of P21/c. The crystal exhibit the following unit cell parameters a = 12.8165(18), b = 6.1878(6), c = 27.082(4) Å, β = 90.705(17)°, V = 2147.6(5) A{sup 3}, Z = 4, D{sub x} = 1.242 Mg/m{sup 3} and the molecular formula of C{sub 22}H{sub 27}N{sub 1}O{sub 2}S{sub 2} was found. The final R value was 0.0776. The crystal structure is stabilized by an interesting intramolecular push and pull five membered electrocyclic interaction between the O1–N1–C2–C1–S1- and via the intermolecular H-bonding interaction between C2–H2···O2.
Authors:
 [1] ;  [2] ; ;  [3]
  1. Saiva Bhanu Kshatriya College, Department of Chemistry (India)
  2. Thiagarajar College, PG & Department of Chemistry (India)
  3. University of Hyderabad, School of Chemistry (India)
Publication Date:
OSTI Identifier:
22472055
Resource Type:
Journal Article
Resource Relation:
Journal Name: Crystallography Reports; Journal Volume: 60; Journal Issue: 7; Other Information: Copyright (c) 2015 Pleiades Publishing, Inc.; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; BENZYL RADICALS; CARBON 13; CHEMICAL BONDS; ETHYLENE; FOURIER TRANSFORMATION; HYDROGEN 1; INFRARED SPECTRA; LATTICE PARAMETERS; MONOCLINIC LATTICES; MONOCRYSTALS; NMR SPECTRA; SYNTHESIS; X-RAY DIFFRACTION