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  • 1 Department of Physics, Sathyabama University, Chennai 600 119, India
  • | 2 Department of Physics, Easwari Engineering College, Chennai 600 089, India
  • | 3 Department of Physics, Loyola College, Chennai 600 034, 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.

  • 1.

    Wang, XQ, Xu, D, Yuan, DR, Tian, YP, Yu, WT, Sun, SY, Yang, ZH, Fang, Q, Lu, MK, Yan, YX, Meng, FQ, Guo, SY, Zhang, GH, Jiang, MH. 1999. Synthesis, structure and properties of tetrakis(thiourea) mercury (II). Tetrakis (thiocyanato-N) zinc (II). Mater Res Bull. 34:2003 .

    • Crossref
    • Search Google Scholar
    • Export Citation
  • 2.

    Ramesh Babu, R, Vijayan, N, Gopalakrishnan, R, Ramasamy, P. 2006. Growth and characterization of l-lysine monohydrochloride dihydrate (l-LMHCl) single crystal. Cryst Res Technol. 41:405 .

    • Crossref
    • Search Google Scholar
    • Export Citation
  • 3.

    Myung, S, Pink, M, Baik, M-H, Clemmer, DE. 2005. dl-Proline. Acta Cryst. C61:o506o508.

  • 4.

    Boomadevi, S, Dhanasekaran, R. 2004. Synthesis, crystal growth and characterization of l-pyrrolidone-2-carboxylic acid (l-PCA) crystals. J Cryst Growth. 261:7076 .

    • Crossref
    • Search Google Scholar
    • Export Citation
  • 5.

    Kayushina, RL, Vainshtein, BK. 1965. The crystal structures of l-proline monohydrate. Kristallografiya. 10:833.

  • 6.

    Padmanabhan, S, Suresh, S, Vijayan, M. 1995. dl-proline monohydrate. Acta Cryst. C51:20982100.

  • 7.

    Mitsui, Y, Tsuboi, M, Iitaka, Y. 1969. The crystal structure of dl-proline hydrochloride. Acta Cryst. B25:21822192.

  • 8.

    Anitha, K, Athimoolam, S, Natarajan, S. 2006. l-prolinium picrate and 2-methylpyridinium picrate. Acta Cryst. C62:o567o570.

  • 9.

    Min Jin, Z, Jiang Pan, Y, Lin Hu, M, Shen, L, Chao Li, M. 2003. The salt of l-prolinium picrate. Cryst Res Technol. 38:10091012 .

  • 10.

    Sheldrick, GM. 1997 SHELX-97, program for crystal structure solution and refinement Gottingen University Gottingen.

  • 11.

    Madhurambal, G, Mariappan, M, Mojumdar, SC. 2010. Thermal, UV andFTIR spectral studies of urea–thiourea zinc chloride single crystal. J Therm Anal Calorim. 100:763768 .

    • Crossref
    • Search Google Scholar
    • Export Citation
  • 12.

    Madhurambal, G, Ramasamy, P, Anbusrinivasan, P, Vasudevan, G, Kavitha, S, Mojumdar, SC. 2008. Growth and characterization studies of 2-bromo-40-chloro-acetophenone (BCAP) crystals. J Therm Anal Calorim. 94:5962 .

    • Crossref
    • Search Google Scholar
    • Export Citation
  • 13.

    Parthiban, S, Murali, S, Madhurambal, G, Meenakshisundaram, SP, Mojumdar, SC. 2010. Effect of zinc(II) doping on thermal and optical properties of potassium hydrogen phthalate (KHP) crystals. J Therm Anal Calorim. 100:751756 .

    • Crossref
    • Search Google Scholar
    • Export Citation
  • 14.

    Ramasamy, G, Parthiban, S, Meenakshisundaram, SP, Mojumdar, SC. 2010. Influence of alkali metal sodium doping on the properties of potassium hydrogen phthalate (KHP) crystals. J Therm Anal Calorim. 100:861865 .

    • Crossref
    • Search Google Scholar
    • Export Citation
  • 15.

    Muthu, K, Bhagavannarayana, G, Chandrasekaran, C, Parthiban, S, Meenakshisundaram, SP, Mojumdar, SC. 2010. Os(VIII) doping effects on the properties and crystalline perfection of potassium hydrogen phthalate (KHP) crystals. J Therm Anal Calorim. 100:793799 .

    • Crossref
    • Search Google Scholar
    • Export Citation
  • 16.

    Meenakshisundarm, SP, Parthiban, S, Madhurambal, G, Mojumdar, SC. 2008. Effect of chelating agent (1,10-phenanthroline) on potassium hydrogen phthalate crystals. J Therm Anal Calorim. 94:2125 .

    • Crossref
    • Search Google Scholar
    • Export Citation
  • 17.

    Mojumdar, SC, Sain, M, Prasad, RC, Sun, L, Venart, JES. 2007. Selected thermoanalytical methods and their applications from medicine to construction. J Therm Anal Calorim. 60:653662 .

    • Crossref
    • Search Google Scholar
    • Export Citation
  • 18.

    Varshney, G, Agrawal, A, Mojumdar, SC. 2007. Pyridine based cerium(IV) phosphate hybrid fibrous ion exchanger: Synthesis, characterization and thermal behaviour. J Therm Anal Calorim. 90:731734 .

    • Crossref
    • Search Google Scholar
    • Export Citation
  • 19.

    Madhurambal, G, Ramasamy, P, Anbusrinivasan, P, Mojumdar, SC. 2007. Thermal properties, induction period, interfacial energy and nucleation parameters of solution grown benzophenone. J Therm Anal Calorim. 90:673679 .

    • Crossref
    • Search Google Scholar
    • Export Citation
  • 20.

    Mojumdar, SC. 2001. Thermoanalytical and IR-spectral investigation of Mg(II) complexes with heterocyclic ligands. J Therm Anal Calorim. 64:629636 .

    • Crossref
    • Search Google Scholar
    • Export Citation
  • 21.

    Pragasam, AJA, Selvakumar, S, Thamizharasan, K, Anand, DP, Sagayaraj, P. 2005. Growth and optical characterization of Cu- and Mg- substituted l-arginine di phosphate single crystals. J Cryst Growth. 280:271278 .

    • Crossref
    • Search Google Scholar
    • Export Citation
  • 22.

    Rao, CNR. 1963 Chemical application of infrared spectroscopy 2 Academic Press New York.

  • 23.

    Bellamy, LJ. 1975 The infrared spectra of complex molecules 3 Wiley New York.

  • 24.

    Herzberg, G. 1945 Infrared and Raman spectra of polyatomic molecules 1 Van Nostrand Reinhold New York.

  • 25.

    Alosious Gonsago C , Albert HM, Malliga P, Joseph Arul Pragasam A. Crystallization, spectral, and thermal characterization of l-histidine methyl ester dihydrochloride (LHMED). J Therm Anal Calorim. 2011. doi (in press).

    • Crossref
    • Search Google Scholar
    • Export Citation
  • 26.

    Cremer, D, Pople, JA. 1975. A general definition of ring puckering coordinates. J Am Chem Soc. 97 6 13541358 .

  • 27.

    Nardelli, M. 1995. PARST95-an update to PARST: a system of Fortran routines for calculating molecular structure parameters from the results of crystal structure analyses. J Appl Cryst. 28:659 .

    • Crossref
    • Search Google Scholar
    • Export Citation
  • 28.

    Hao, Y-M. 2010. 2-Chloro-5-nitrobenzaldehyde thiosemicarbazone. Acta Cryst. E66:o2528.

  • 29.

    Kurtz, SK, Perry, TT. 1968. A powder technique for the evaluation of nonlinear optical materials. J Appl Phys. 39:3798 .

  • 30.

    Petrosyan, HA, Karapetyan, HA, Antipin, MYu, Petrosyan, AM. 2005. Nonlinear optical crystals of l-histidine salts. J Cryst Growth. 275:e1919e1925 .

    • Crossref
    • Search Google Scholar
    • Export Citation

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  • Impact Factor (2019): 2.731
  • Scimago Journal Rank (2019): 0.415
  • SJR Hirsch-Index (2019): 87
  • SJR Quartile Score (2019): Q3 Condensed Matter Physics
  • SJR Quartile Score (2019): Q3 Physical and Theoretical Chemistry
  • Impact Factor (2018): 2.471
  • Scimago Journal Rank (2018): 0.634
  • SJR Hirsch-Index (2018): 78
  • SJR Quartile Score (2018): Q2 Condensed Matter Physics
  • SJR Quartile Score (2018): Q2 Physical and Theoretical Chemistry

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Journal of Thermal Analysis and Calorimetry
Language English
Size A4
Year of
Foundation
1969
Volumes
per Year
4
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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