Allantoin
Xu B, Sung C, Han B
Crystals 1 (2011) 128-135
Crystal structure characterization of natural allantoin
from edible lichen Umbilicaria esculenta
Note: T = 232 K
Locality: synthetic
_database_code_amcsd 0020954
8.0004 5.1487 14.7501 90 92.9080 90 P2_1/c
atom     x     y     z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
O(1) .2350 .1073 .2462 .024   .031   .015   .025   .003   .001   .001
O(2) .0690 .3218 .4211 .024   .022   .025   .027   .001   .004   .003
O(3) .6366 .2125 .4374 .028   .022   .030   .033   .004      0   .006
N(1) .1068 .3202 .1272 .025   .033   .020   .022  -.002  -.003      0
N(2) .2117 .5446 .2525 .021   .029   .013   .019   .002  -.002   .002
N(3) .4662 .4859 .3500 .025   .020   .026   .028  -.002   .001   .008
N(4) .3485 .2270 .4484 .022   .022   .022   .021   .002   .002   .005
C(1) .2162 .3532 .4072 .019   .024   .016   .018   .001   .001  -.001
C(2) .4997 .3017 .4127 .021   .023   .019   .021  -.001      0  -.001
C(3) .2887 .5523 .3420 .020   .023   .016   .020  -.001      0      0
C(4) .1849 .3132 .2094 .019   .019   .017   .020      0   .004      0
H1A  .0890 .1787 .0973 .030
H1B  .0742 .4663 .1043 .030
H2   .1820 .6868 .2257 .025
H3   .5409 .5569 .3182 .030
H4   .3402 .1149 .4911 .026
H5   .2740 .7267 .3669 .023