<i>N</i>-Méthyl succinimide
Tenon, J.A.; Carles, M.; Aycard, J.P.; Acta Crystallographica Section C 56 (2000) 568–569; doi:10.1107/S0108270199016170

data_2010914
_publ_section_title
;
 <i>N</i>-M\'ethyl succinimide
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              568
_journal_page_last               569
_journal_paper_doi               10.1107/S0108270199016170
_journal_volume                  56
_journal_year                    2000
_chemical_formula_sum            'C5 H7 N O2'
_chemical_formula_weight         113.12
_chemical_name_systematic
;
N-m\'ethyl succinimide
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           International_Tables_for_Xray_Crystallography
_cell_angle_alpha                90.00
_cell_angle_beta                 106.280(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4.00
_cell_length_a                   9.1010(10)
_cell_length_b                   6.0730(10)
_cell_length_c                   10.3120(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294
_cell_measurement_theta_max      16
_cell_measurement_theta_min      10
_cell_volume                     547.09(12)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction        'SDP-Plus (Frenz, 1985)'
_computing_molecular_graphics    'ORTEP-3 for WINDOWS (Farrugia, 1997)'
_computing_publication_material  'MolEN (Fair, 1990)'
_computing_structure_refinement  SDP-Plus
_computing_structure_solution    'MULTAN80 (Main et al., 1980)'
_diffrn_ambient_temperature      294
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \q/2\q
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_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       0
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_diffrn_reflns_theta_min         2.64
_diffrn_standards_decay_%        -7.06
_diffrn_standards_interval_time  60
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_exptl_absorpt_coefficient_mu    .107
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.37
_exptl_crystal_density_meas      ?
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_exptl_crystal_size_max          .4
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_refine_ls_weighting_details     'w = 4Fo^2^/(\s^2^(Fo^2^) + 0.0016Fo^4^)'
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 8 times.

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

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 4Fo^2^/(\s^2^(Fo^2^) +
0.0016Fo^4^)' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 4Fo^2^/(\s^2^(Fo^2^) + 0.0016Fo^4^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        547.1(2)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C5 H7 N1 O2'
_cod_database_code               2010914
_cod_database_fobs_code          2010914