Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation
Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu; CrystEngComm 25 (2023) 513–524; doi:10.1039/D2CE00902A

data_7246094
_publ_section_title
;
 Novel salts of the antiemetic drug domperidone: synthesis,
 characterization and physicochemical property investigation
;
_journal_issue                   4
_journal_name_full               CrystEngComm
_journal_page_first              513
_journal_page_last               524
_journal_paper_doi               10.1039/D2CE00902A
_journal_volume                  25
_journal_year                    2023
_chemical_formula_moiety         'C22 H22 Cl N5 O2, C3 H2 O4'
_chemical_formula_sum            'C25 H24 Cl N5 O6'
_chemical_formula_weight         525.94
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_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2022-06-30 deposited with the CCDC.	2022-12-12 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_refine_ls_R_factor_all          0.0824
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0515P)^2^+3.6521P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1279
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2ce00902a2.cif
_cod_data_source_block           mo_domma_1_0m_a
_cod_depositor_comments
'Adding full bibliography for 7246090--7246098.cif.'
_cod_original_cell_volume        2474.3(1)
_cod_original_sg_symbol_H-M      'P 21/c'
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_shelx_res_checksum              23026
_shelx_hkl_checksum              67922