data_2004880
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    'C52'
_journal_page_first     1215
_journal_page_last     1218
_publ_section_title
;
First Example of a Crystalline Urazole Nucleoside:
(1R,2R)-Urazole-\a-D-pyranosyl-2-deoxyriboside
;
_chemical_formula_sum     'C7 H11 N3 O5'
_chemical_formula_weight     217.18
_symmetry_cell_setting    'monoclinic'
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
'-x,y+1/2,-z'
_symmetry_space_group_name_H-M     'P 21'
_cell_length_a     8.539(2)
_cell_length_b     5.229(6)
_cell_length_c     10.268(3)
_cell_angle_alpha     90.0
_cell_angle_beta     97.20(2)
_cell_angle_gamma     90.0
_cell_volume     454.9(8)
_cell_formula_units_Z     2
_exptl_crystal_density_diffrn     1.585
_cell_measurement_temperature     296
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
O6  .34628(17)  .5429  .49037(13)  .0432(5)
O7  .4127(2) 1.0390(6)  .13312(15)  .0519(6)
N1  .2318(2)  .5448(6)  .27431(16)  .0325(5)
N2  .2373(2)  .7213(7)  .16998(18)  .0340(6)
N4  .4115(2)  .8333(6)  .33455(17)  .0383(7)
C3  .3607(2)  .8832(7)  .2034(2)  .0352(7)
C5  .3328(2)  .6316(7)  .3790(2)  .0329(7)
O6'  -.01648(17)  .6263(5)  .33418(13)  .0326(5)
O7' -0.2245(2)  .0626(6)  .08408(15)  .0396(5)
O8' -0.3053(2)  .5707(5)  .15080(16)  .0440(6)
C1'  .0827(3)  .4305(7)  .29228(19)  .0311(7)
C2'  .0047(2)  .2999(6)  .1700(2)  .0319(7)
C3' -0.1496(3)  .1831(6)  .1992(2)  .0311(7)
C4' -0.2542(3)  .3869(7)  .24896(19)  .0348(8)
C5' -0.1633(3)  .5227(7)  .3642(2)  .0371(8)
H2  .231(3)  .659(6)  .091(2)  .0408
H4  .491(3)  .914(6)  .382(2)  .0459
H1'  .1005  .3066  .3601  .0374
H2'a  .0719  .1695  .1443  .0383
H2'b -0.0155  .4214  .1011  .0383
H3' -0.1271  .0572  .2656  .0374
H4' -0.3441  .3071  .2770  .0418
H5'a -0.2263  .6586  .3904  .0446
H5'b -0.1420  .4046  .4344  .0446
H7' -0.254(3)  -.082(7)  .094(2)  .0474
H8' -0.355(3)  .497(7)  .088(3)  .0528