#------------------------------------------------------------------------------
#$Date: 2009-04-21 15:31:11 +0100 (Tue, 21 Apr 2009) $
#$Revision: 665 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000281.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2000281
loop_
_publ_author_name
'Padmaja, N.'
'Ramakumar, S.'
'Viswamitra, M. A.'
_publ_section_title
;
 Structure of 5-methylcytidine
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1445
_journal_page_last               1448
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C10 H15 N3 O5'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.570(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.6320(10)
_cell_length_b                   14.636(3)
_cell_length_c                   13.914(3)
_cell_volume                     1146.9
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_crystal_density_diffrn    1.49
_exptl_crystal_F_000             544
_[local]_cod_data_source_file    ab0162.cif
_[local]_cod_data_source_block   ab0162a
_[local]_cod_cif_authors_sg_H-M  P21
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
N(1A) .9506(3) .23720(10) .08900(10) .0300(10)
C(2A) .7739(4) .2302(2) .0199(2) .0310(10)
N(3A) .6612(4) .1484(2) .00670(10) .0350(10)
C(4A) .7310(4) .0764(2) .0566(2) .0310(10)
C(5A) .9316(5) .0778(2) .1214(2) .0320(10)
C(6A) 1.0310(4) .1603(2) .1354(2) .0320(10)
O(2A) .7237(3) .2996000 -.02840(10) .0410(10)
N(4A) .6044(4) -.0012(2) .0453(2) .0440(10)
C(7A) 1.0272(6) -.0079(2) .1669(2) .0450(10)
O(4A') 1.2651(3) .31870(10) .16070(10) .0320(10)
C(1A') 1.0628(4) .3283(2) .1003(2) .0280(10)
C(2A') .8938(4) .3976(2) .1476(2) .0290(10)
C(3A') .9768(4) .3927(2) .25260(10) .0260(10)
C(4A') 1.2420(4) .3753(2) .24480(10) .0270(10)
C(5A') 1.3507(4) .3288(2) .3319(2) .0390(10)
O(5A') 1.2210(3) .25230(10) .36300(10) .0470(10)
O(2A') .9228(4) .48510(10) .10630(10) .0420(10)
O(3A') .9246(3) .47370(10) .30420(10) .0350(10)
N(1B) .5961(3) .33070(10) .58270(10) .0270(10)
C(2B) .7656(4) .3436(2) .51220(10) .0270(10)
N(3B) .8446(3) .42990(10) .49500(10) .0310(10)
C(4B) .7601(4) .5001(2) .5449(2) .0290(10)
C(5B) .5659(4) .4904(2) .6106(2) .0300(10)
C(6B) .4967(4) .4042(2) .6276(2) .0300(10)
O(2B) .8382(3) .27590(10) .46740(10) .0360(10)
N(4B) .8578(4) .5819(2) .5305(2) .0370(10)
C(7B) .4508(5) .5714(2) .6579(2) .0450(10)
O(4B') .3174(2) .23680(10) .65920(10) .0310(10)
C(1B') .5194(4) .2351(2) .6000(2) .0250(10)
C(2B') .7141(4) .1799(2) .6510(2) .0270(10)
C(3B') .6338(4) .1845(2) .75530(10) .0250(10)
C(4B') .3638(4) .1874(2) .7477(2) .0270(10)
C(5B') .2431(5) .2347(2) .8306(2) .0360(10)
O(5B') .3499(3) .31930(10) .85660(10) .0430(10)
O(2B') .7074(3) .08950(10) .61390(10) .0390(10)
O(3B') .7215(3) .10990(10) .80970(10) .0370(10)