Spectroscopic Studies and Crystal Structure of 1-[(2,5-dioxopyrrolidin-1-yl)(phenyl) methyl] Thiourea |
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Authors: | S Rajeswari G Venkatesa Prabhu D Tamilvendan V Ramkumar |
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Institution: | (1) Department of Chemistry, National Institute of Technology, Tiruchirappalli, 620015, Tamilnadu, India;(2) Department of Chemistry, Indian Institute of Technology, Chennai, 600036, Tamilnadu, India |
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Abstract: | Abstract A new mannich base 1-(2,5-dioxopyrrolidin-1-yl)(phenyl)methyl] thiourea formed by the direct condensation of thiourea, succinimide
and benzaldehyde has been synthesized. The structure of this mannich base has been elucidated on the basis of micro elemental
analysis, IR, 1H NMR, 13C NMR, Mass and UV–Visible Techniques. The crystal structure of the title compound C12 H13 N3 O2 S was determined. It crystallizes in the monoclinic system, space group P21/c with a = 10.8234 (7) ?, b = 6.0355 (5) ?, c = 19.3692 (14) ?, β = 100.540(3)°, Z = 4 and V = 1243.94 (16) ?3. The structure was solved by the full-matrix least squares on F
2 and had a refined R value of 0.0465 for 1,964 observed reflections. The crystal structure is stabilized by strong intramolecular C–H···O, C–H···S
interactions and inter molecular N–H···O and S···S interactions.
Graphical Abstract This paper describes the spectroscopic and crystallographic studies of the title compound which is essential in ascertaining
the structure of this new compound.
![MediaObjects/10870_2009_9538_Figa_HTML.gif](/content/7318004300733555/MediaObjects/10870_2009_9538_Figa_HTML.gif) |
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Keywords: | Mannich base Spectroscopy Crystal structure Monoclinic 1-[(2 5-dioxopyrrolidin-1-yl)(phenyl) methyl] thiourea |
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