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R. Umamaheswari Department of Physics, Sathyabama University, Chennai 600 119, India

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S. Nirmala Department of Physics, Easwari Engineering College, Chennai 600 089, India

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P. Sagayaraj Department of Physics, Loyola College, Chennai 600 034, India

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A. Joseph Arul Pragasam Department of Physics, Sathyabama University, Chennai 600 119, India

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Abstract

Single crystals of [(C5H9NO2)(CH4N2S)]·H2O, l-proline thiourea monohydrate (LPTU), were grown by slow evaporation technique at room temperature. LPTU crystallizes in the zwitter ionic form with carboxyl group deprotonated and amino group protonated. An X-ray structure analysis yielded space group P212121, a = 5.769 (3) Å, b = 10.074 (4) Å, c = 17.438 (9) Å, z = 4 and ρ = 1.372 mg/m3 at 293 K. Neighbouring cations and anions are connected by hydrogen bonds to each other and also to water molecule. The dihedral angle between thiourea and water molecule is 86.76°. The pyrrolidine ring adopts a twisted conformation. The second harmonic generation test and the thermal stability of the crystal were investigated.

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Journal of Thermal Analysis and Calorimetry
Language English
Size A4
Year of
Foundation
1969
Volumes
per Year
1
Issues
per Year
24
Founder Akadémiai Kiadó
Founder's
Address
H-1117 Budapest, Hungary 1516 Budapest, PO Box 245.
Publisher Akadémiai Kiadó
Springer Nature Switzerland AG
Publisher's
Address
H-1117 Budapest, Hungary 1516 Budapest, PO Box 245.
CH-6330 Cham, Switzerland Gewerbestrasse 11.
Responsible
Publisher
Chief Executive Officer, Akadémiai Kiadó
ISSN 1388-6150 (Print)
ISSN 1588-2926 (Online)

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