Skip to main content Accessibility help

X-ray powder diffraction data for 1-methylhydantoin, an antiasthmatic and antidepressive hydantoin compound

  • Gerzon E. Delgado (a1), Asiloé J. Mora (a1), Jines E. Contreras (a1) and Cecilia Chacón (a2)


X-ray powder diffraction data, unit cell parameters, and space group for 1-methylhydantoin, C4H6N2O2, are reported [a = 5.6070(9) Å, b = 12.170(1) Å, c = 8.097(1) Å, β = 105.41(1), Z = 4, unit cell volume V = 532.66(9) Å3, with M20 = 50.2 and F30 = 62.2 (0.0082, 59)]. All measured lines were indexed and are consistent with the monoclinic P21/c space group.


Corresponding author

a) Author to whom correspondence should be addressed. Electronic mail:


Hide All
Allen, F. H. (2002). “The Cambridge Structural Database: a quarter of a million crystal structures and rising,” Acta Crystallogr. B 58, 380388.
Baune, B. T. and Renger, L. (2014). “Pharmacological and non-pharmacological interventions to improve cognitive dysfunction and functional ability in clinical depression – a systematic review,” Psychiat. Res. 219, 2550.
Boultif, A. and Louër, D. (2004). “Powder pattern indexing with the dichotomy method,” J. Appl. Crystallogr. 37, 724731.
CSD Cambridge Structure Database (2014). version 5.35, Cambridge Crystallographic Data Centre, Cambridge, UK.
Delgado, G. E., Mora, A. J., Uzcátegui, J., Bahsas, A., and Briceño, A. (2007). “(S)-5-benzylimidazolidine-2,4-dione monohydrate,” Acta Crystallogr. C 63, o448o450.
Delgado, G. E., Seijas, L. E., and Mora, A. J. (2012). “Synthesis and crystal structure determination of hydantoin-L-proline,” J. Chem. Cryst. 42, 968971.
de Wolff, P. M. (1968). “A simplified criterion for the reliability of a powder pattern indexing,” J. Appl. Crystallogr. 1, 108113.
Han, D., Dong, X. L., and Qiu, Z. D. (2014). “Antiasthmatic effect of 1-methylhydantoin on rat asthma model and its mechanism,” J. Jilin Univ. Med. Ed. 40, 543548.
ICDD (2011). PDF-2 2011 (Database), edited by Kabekkodu, S., International Centre for Diffraction Data, Newtown Square, PA, USA.
Le Bail, A. (2005). “Whole powder pattern decomposition methods and applications: a retrospection,” Powder Diffr. 20, 316326.
López, C. A. and Trigo, G. G. (1985). “The chemistry of hydantoins,” Adv. Heterocycl. Chem. 38, 177228.
Merrit, H. H. and Putnam, T. J. (1938). “A new series of anticonvulsant drugs tested by experiments on animals,” Arch. Neurol. Psychiatry 39, 10031015.
Meusel, M. and Gütschow, M. (2004). “Recent developments in hydantoin chemistry. A review,” Org. Prep. Proced. Int. 36, 391443.
Mighell, A. D., Hubbard, C. R., and Stalick, J. K. (1981). NBS*AIDS80: A Fortran program for crystallographic data evaluation. National Bureau of Standards (USA), Technical Note 1141.
Mutschler, E. and Derendorf, H. (1995). Drug Actions, Basic Principles and Therapeutic Aspects (Medpharm Scientific Publishers, Stuttgart).
Nogueira, B. A., Ildiz, G. O., Canotilho, J., Eusébio, M. E. S., and Fausto, R. (2014). “Molecular structure, infrared spectra, photochemistry, and thermal properties of 1-methylhydantoin,” J. Phys. Chem. A, 118, 59946008.
Park, K. H., Ehrler, J., Spoerri, H., and Kurth, M. J. (2001). “Preparation of a 990-member chemical compound library of hydantoin- and isoxazoline-containing heterocycles using multipin technology,” J. Comb. Chem. 3, 171176.
Puszynska-Tuszkanow, M., Daszkiewicz, M., Maciejewska, G., Staszak, Z., Wietrzyk, J., Filip, B., and Cieslak-Golonka, M. (2011). “HSAB principle and nickel(II) ion reactivity towards 1-methyhydantoin,” Polyhedron 30, 20162025.
Rodriguez-Carvajal, J (2014) Fullprof, version 5.3, LLB, CEA-CNRS, France.
Seijas, L. E., Mora, A. J., Delgado, G. E., Brunelli, M., and Fitch, A. N. (2010). “Study of the conversion of N-carbamoyl-L-proline to hydantoin-L-proline using powder synchrotron X-ray diffraction,” Powder Diffr. 25, 342348.
Smith, G. S. and Snyder, R. L. (1979). “FN: a criterion for rating powder diffraction patterns and evaluating the reliability of powder-pattern indexing,” J. Appl. Crystallogr. 12, 6065.
Yang, B., Liu, D., Li, C. Z., Liu, F. Y., Peng, Y. M., and Jiang, Y. S. (2007). “1-methylhydantoin cytotoxicity on renal proximal tubular cells in vitro ,” Ren Fail. 29, 10251029.
You, J. S., Zhang, R. R., Wang, C. G., Shi, J. L., Guo, J. Y., Shi, S. N., Hou, W. H., and Liu, Y. (2013). “Effects of 1-methylhydantoin on behavior changes in depressive rats and its possible mechanisms,” Chin. Phar. Bull. 29, 11041108.


Type Description Title
Supplementary materials

Delgado supplementary material
Delgado supplementary material 1

 Unknown (94 KB)
94 KB


Full text views

Total number of HTML views: 0
Total number of PDF views: 0 *
Loading metrics...

Abstract views

Total abstract views: 0 *
Loading metrics...

* Views captured on Cambridge Core between <date>. This data will be updated every 24 hours.

Usage data cannot currently be displayed