Guanine
Thewalt U, Bugg C E, Marsh R E
Acta Crystallographica B27 (1971) 2358-2362
The crystal structure of guanine monohydrate
Locality: synthetic
_database_code_amcsd 0009419
16.510 11.277 3.645 90 96.8 90 P2_1/n
atom     x     y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
C2   .3647 .6773 .5778           .0023  .0051  .0267 -.0008 -.0002  .0011
C4   .3887 .4858 .6803           .0016  .0048  .0484 -.0006 -.0027  .0011
C5   .3144 .4494 .4931           .0020  .0049  .0475 -.0008 -.0013 -.0055
C6   .2595 .5352 .3327           .0022  .0059  .0483  .0016 -.0005 -.0038
C8   .3783 .2917 .6938           .0030  .0059  .0413 -.0003 -.0026  .0008
H1    .437  .827  .723      2.5
H2     .35  .861   .48      2.5
H3    .254  .718  .274      2.5
H4    .393  .205  .746      2.5
H5    .483   .38  .963      2.5
H6     .59  .945  .804      2.5
H7     .51  .982  .933  .5  6.0
H8     .51  .982  .576  .5  6.0
N1   .2901 .6502 .3896           .0019  .0040  .0276  .0005 -.0060 -.0017
N2   .3838 .7923 .5891           .0027  .0030  .0946 -.0008 -.0169  .0067
N3   .4167 .5989 .7350           .0013  .0038  .0283  .0002 -.0089  .0070
N7   .3093 .3251 .5023           .0025  .0044  .0250 -.0003 -.0026  .0008
N9   .4284 .3849 .8053           .0017  .0048  .0431 -.0003 -.0098  .0001
O6   .1912 .5187 .1593           .0015  .0075  .0368  .0001 -.0070 -.0070
O10  .5341 .9396 .7668           .0039  .0202  .3190 -.0018  .0197  .0168