Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation
Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.; CrystEngComm 16 (2014) 5802–; doi:10.1039/c3ce41963k

data_7216501
_publ_section_title
;
 Structures of benzoic acids with substituted pyridines and quinolines:
 salt versus co-crystal formation
;
_journal_issue                   26
_journal_name_full               CrystEngComm
_journal_page_first              5802
_journal_paper_doi               10.1039/c3ce41963k
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C8 H7 O3, C6 H9 N2'
_chemical_formula_sum            'C14 H16 N2 O3'
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; 
4-methoxybenzoic acid + 2-amino-6-methylpyridine
;
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_diffrn_ambient_temperature      173(2)
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_diffrn_measurement_method       '1.2\% \f scans and \w scans'
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_diffrn_reflns_theta_full        25.37
_diffrn_reflns_theta_max         25.37
_diffrn_reflns_theta_min         2.93
_diffrn_standards_decay_%        0
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_exptl_absorpt_coefficient_mu    0.095
_exptl_absorpt_correction_T_max  0.9868
_exptl_absorpt_correction_T_min  0.9821
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_exptl_absorpt_process_details   DENZO-SMN
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_refine_ls_number_parameters     186
_refine_ls_number_reflns         2355
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_refine_ls_restrained_S_all      0.958
_refine_ls_R_factor_all          0.0863
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0443P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0863
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_reflns_number_gt                1445
_reflns_number_total             2355
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce41963k.txt
_cod_data_source_block           data(X)-CCDC963017
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'none' was changed to '?' - the value
is undefined or not given.

'_symmetry_cell_setting' value
'Monoclinic' changed to 'monoclinic' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 7216492--7216505.cif.

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        1289.2(4)
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7216501