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.
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.
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. 41:40510.1002/crat.200510594.)| false
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. 60:653–66210.1007/s10973-007-8518-5.)| false
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. 280:271–278.
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. 280:271–27810.1016/j.jcrysgro.2005.03.057.)| false
Alosious GonsagoC, AlbertHM, MalligaP, Joseph Arul PragasamA. Crystallization, spectral, and thermal characterization of l-histidine methyl ester dihydrochloride (LHMED). J Therm Anal Calorim.2011. doi (in press).
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. 28:65910.1107/S0021889895007138.)| false