Structures of two ribonucleotide reductase inhibitors: 1-hydroxy-1-methylurea and 1-hydroxy-3-methylurea
Nielsen, B. B.; Frydenvang, K.; Larsen, I. K.; Acta Crystallographica Section C 49 (1993) 1018–1022; doi:10.1107/S0108270192012551

data_2001740
_publ_section_title
;
 Structures of two ribonucleotide reductase inhibitors:
 1-hydroxy-1-methylurea and 1-hydroxy-3-methylurea
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1018
_journal_page_last               1022
_journal_paper_doi               10.1107/S0108270192012551
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C2 H6 N2 O2'
_chemical_formula_sum            'C2 H6 N2 O2'
_chemical_formula_weight         90.08
_chemical_melting_point          340.5(5)
_chemical_name_systematic        ' 1-Methyl-1-hydroxyurea'
_space_group_IT_number           43
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
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_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            16
_cell_length_a                   5.2049(9)
_cell_length_b                   23.375(4)
_cell_length_c                   13.155(3)
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_cell_measurement_temperature    122
_cell_measurement_theta_max      21.87
_cell_measurement_theta_min      21.40
_cell_volume                     1600.5(5)
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_diffrn_measurement_device       'Enraf-Nonius CAD-4 diffractometer'
_diffrn_measurement_method       \w/2\q
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_diffrn_reflns_limit_l_min       -32
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_diffrn_standards_interval_time  166
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_exptl_absorpt_coefficient_mu    0.1228
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
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_exptl_crystal_description       'thin rectangular plates'
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '340-341' was changed to '340.5(5)' -
the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_chemical_melting_point' value '340-341' was changed to '340.5(5)' -
the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F)+0.0009F^2^]' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/[\s^2^(F)+0.0009F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1600.4(2)
_cod_database_code               2001740