data_2010228
_journal_name_full  'Acta Crystallographica'
_journal_year  1994
_journal_volume  C50
_journal_page_first  1837
_journal_page_last  1839
_publ_section_title
;
Structure and Conformation of 5-Hydroxymethyl-2'-deoxycytidine
;
loop_
_publ_author_name
  'Li, J.'
  'Kumar, S.V.P.'
  'Stuart, A.L.'
  'Delbaere, L.T.J.'
  'Gupta, S.V.'
_chemical_formula_moiety  'C10 H15 N3 O5'
_chemical_formula_sum  'C10 H15 N3 O5'
_chemical_formula_weight  257.3
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21'
_symmetry_space_group_name_Hall  'P 2y1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y+1/2,-z'
_cell_length_a  5.0110(4)
_cell_length_b  13.010(3)
_cell_length_c  8.9220(10)
_cell_angle_alpha  90.
_cell_angle_beta  93.150(8)
_cell_angle_gamma  90.
_cell_volume  580.70(10)
_cell_formula_units_Z  2
_cell_measurement_temperature  287.0(10)
_exptl_crystal_density_diffrn  1.471
_exptl_crystal_density_meas  1.480
_refine_ls_R_factor_obs  0.030
_refine_ls_wR_factor_obs  0.036
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
  N(1) .0479(3) .8350 .72750(10)
  0.0267(4)
  C(2) -.1053(4) .9231(2) .7041(2) 0.0295(4)
  O(2) -.0613(3) .99680(10)
  .78910(10)
  0.0405(4)
  N(3) -.2960(3) .92400(10)
  .5909(2) 0.0335(4)
  C(4) -.3453(4) .8400(2) .5080(2) 0.0302(4)
  N(4) -.5383(4) .8458(2) .3990(2) 0.0457(5)
  C(5) -.1959(3) .7477(2) .5317(2) 0.0279(4)
  C(51) -.2590(4) .6497(2) .4489(2) 0.0328(5)
  O(52) -.4859(4) .6053(2) .5148(2) 0.0451(5)
  C(6) .0012(3) .7498(2) .6417(2) 0.0275(4)
  C(1') .2616(3) .8387(2) .8510(2) 0.0283(4)
  C(2') .1485(4) .8271(2) 1.0054(2) 0.0333(5)
  C(3') .1826(3) .7123(2) 1.0384(2) 0.0274(4)
  O(3') .2085(3) .69410(10)
  1.19470(10)
  0.0382(4)
  C(4') .4343(3) .6862(2) .9579(2) 0.0293(4)
  O(4') .4393(2) .75610(10)
  .83230(10)
  0.0314(3)
  C(5') .4408(5) .5766(2) .9000(2) 0.0420(6)
  O(5') .6643(4) .5565(2) .8140(2) 0.0521(5)
  H(41) -.590(6) .795(3) .343(3) .053(8)
  H(42) -.612(7) .904(3) .381(4) .058(9)
  H(511) -.293(4) .659(2) .340(2) .027(5)
  H(512) -.119(7) .605(3) .458(3) .058(8)
  H(52) -.548(6) .552(3) .468(3) .055(8)
  H(6) .0106(4) .690(2) .663(2) .024(5)
  H(1') .350(4) .903(2) .839(2) .019(4)
  H(2') .245(6) .868(3) 1.083(3) .047(7)
  H(2'') -.025(8) .851(4) 1.008(4) .070(10)
  H(3') .028(5) .670(2) .996(3) .026(5)
  H(32') .186(6) .635(3) 1.208(3) .050(8)
  H(4') .593(4) .701(2) 1.026(2) .024(5)
  H(5') .461(8) .530(3) .988(4) .080(10)
  H(5'') .253(5) .563(2) .844(3) .044(7)
  H(52') .610(5) .577(2) .739(3) .037(6)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
  N(1) C(2) 1.388(2) yes
  N(1) C(6) 1.360(2) yes
  N(1) C(1') 1.495(2) yes
  C(2) O(2) 1.235(2) yes
  C(2) N(3) 1.352(2) yes
  N(3) C(4) 1.335(3) yes
  C(4) N(4) 1.335(3) yes
  C(4) C(5) 1.424(3) yes
  C(5) C(51) 1.499(3) yes
  C(5) C(6) 1.354(2) yes
  C(51) O(52) 1.430(3) yes
  C(1') C(2') 1.526(2) yes
  C(1') O(4') 1.411(2) yes
  C(2') C(3') 1.529(3) yes
  C(3') O(3') 1.413(2) yes
  C(3') C(4') 1.523(2) yes
  C(4') O(4') 1.444(2) yes
  C(4') C(5') 1.518(3) yes
  C(5') O(5') 1.416(3) yes