Polymorphs of oxindole as the core structures in bioactive compounds
Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech; CrystEngComm 20 (2018) 1739–; doi:10.1039/C7CE01237C

data_7230105
_publ_section_title
;
 Polymorphs of oxindole as the core structures in bioactive compounds
;
_journal_issue                   12
_journal_name_full               CrystEngComm
_journal_page_first              1739
_journal_paper_doi               10.1039/C7CE01237C
_journal_volume                  20
_journal_year                    2018
_chemical_formula_moiety         'C8 H7 N O'
_chemical_formula_sum            'C8 H7 N O'
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_chemical_name_common            oxindole
_chemical_name_systematic        2-indolinone
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
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_audit_update_record
;
2017-01-09 deposited with the CCDC.
2018-02-09 downloaded from the CCDC.
;
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;
SuperNova diffractometer (Agilent Technologies) with Atlas detector
;
_diffrn_measurement_method       '\w scans'
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_diffrn_reflns_limit_k_min       -8
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_diffrn_reflns_limit_l_min       -9
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.41q (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0543P)^2^+0.1430P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1024
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1164
_reflns_number_total             1366
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7ce01237c3.cif
_cod_data_source_block           shelx_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7230098--7230105.cif.'
_cod_database_code               7230105
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.982
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_shelx_res_checksum              71084