Three tetrahydroisoquinolinedione derivatives
Subbiah Pandi, A.; Rajakannan, V.; Velmurugan, D.; Parvez, Masood; Kim, Moon-Jib; Senthilvelan, A.; Narasinga Rao, S.; Acta Crystallographica Section C 58 (2002) o164–o167; doi:10.1107/S0108270102000896

data_2012587
_publ_section_title
;
 Three tetrahydroisoquinolinedione derivatives
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              o164
_journal_page_last               o167
_journal_paper_doi               10.1107/S0108270102000896
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         'C16 H12 Cl N O2'
_chemical_formula_sum            'C16 H12 Cl N O2'
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_chemical_name_systematic
;
N-(2-Chlorobenzyl)-1,2,3,4-tetrahydroisoquinoline-1,3-dione
;
_space_group_IT_number           14
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_cell_angle_beta                 98.92(2)
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_cell_measurement_theta_min      20
_cell_volume                     4037.4(14)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1985)'
_computing_molecular_graphics    'ZORTEP (Zsolnai, 1997)'
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_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full .995
_diffrn_measured_fraction_theta_max .995
_diffrn_measurement_device_type  'Enraf-Nonius  CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           CuK\a
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_exptl_absorpt_process_details   'via \y scans (North et al., 1968)'
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' w = 1/[\s^2^(Fo^2^)+(0.1067P)^2^+1.2945P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_data_source_file            na1552.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z 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 
;
_cod_original_cell_volume        4037.4(13)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2012587
_cod_database_fobs_code          2012587