The role of 4-nitrobenzoic acid polymorphs in the crystallization process of organic acid–base multicomponent systems
Croitor, Lilia; Petric, Mihaela F.; Szerb, Elisabeta I.; Vlase, Gabriela; Bourosh, Paulina N.; Chumakov, Yurii M.; Crisan, Manuela E.; CrystEngComm 21 (2019) 6038–; doi:10.1039/C9CE01239G

data_7233614
_publ_section_title
;
 The role of 4-nitrobenzoic acid polymorphs in the crystallization process
 of organic acid--base multicomponent systems
;
_journal_issue                   40
_journal_name_full               CrystEngComm
_journal_page_first              6038
_journal_paper_doi               10.1039/C9CE01239G
_journal_volume                  21
_journal_year                    2019
_chemical_formula_sum            'C11 H16 N2 O5'
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_symmetry_space_group_name_Hall  '-P 2yn'
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_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2018-08-21 deposited with the CCDC.    2019-09-02 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
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_diffrn_measurement_device_type  'Xcalibur, Eos'
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_diffrn_source                   'Enhance (Mo) X-ray Source'
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_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
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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^)+(0.0875P)^2^+0.3805P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1420
_refine_ls_wR_factor_ref         0.1548
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1900
_reflns_number_total             2381
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9ce01239g2.cif
_cod_data_source_block           pb_3088_Manuela
_cod_depositor_comments          'Adding full bibliography for 7233614.cif.'
_cod_original_cell_volume        1276.36(6)
_cod_database_code               7233614
_shelx_shelxl_version_number     2014/7
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