Crystallographic studies of piperazine derivatives of 5,5-dimethylhydantoin in the search for structural features of α<sub>1</sub>-adrenoreceptors antagonists.
Żesławska, Ewa; Nitek, Wojciech; Handzlik, Jadwiga; Acta crystallographica. Section C, Structural chemistry 81 (2025) 264–272; doi:10.1107/S2053229625002608

data_2312806
_publ_section_title
;
 Crystallographic studies of piperazine derivatives of
 5,5-dimethylhydantoin in the search for structural features of
 &#x3b1;<sub>1</sub>-adrenoreceptors antagonists.
;
_journal_coeditor_code           EQ3022
_journal_issue                   'Pt 5'
_journal_name_full
'Acta crystallographica. Section C, Structural chemistry'
_journal_page_first              264
_journal_page_last               272
_journal_paper_doi               10.1107/S2053229625002608
_journal_volume                  81
_journal_year                    2025
_chemical_formula_iupac
'C25 H32 Cl2 N4 O3 2+, 2Cl -, H2 O, 0.5C4 H8 O2'
_chemical_formula_moiety
'C25 H32 Cl2 N4 O3 2+, 2(Cl -), H2 O, 0.5(C4 H8 O2)'
_chemical_formula_sum            'C27 H38 Cl4 N4 O5'
_chemical_formula_weight         640.41
_chemical_name_common
;3-(2,4-Dichlorobenzyl)-1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione dihydrochloride monohydrate ethyl acetate
hemisolvate
;
_chemical_name_systematic
;4-(3-{3-[(2,4-Dichlorophenyl)methyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl}-2-hydroxypropyl)-1-phenylpiperazine-1,4-diium dichloride monohydrate ethyl
acetate hemisolvate
;
_space_group_crystal_system      triclinic
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Olex2 1.5
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CrysAlis PRO (Rigaku OD, 2020)
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CrysAlis PRO (Rigaku OD, 2020)
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CrysAlis PRO (Rigaku OD, 2020)
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SHELXT2014 (Sheldrick, 2015<i>a</i>)
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;
(CrysAlis PRO; Rigaku OD, 2020)
;
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SHELXL2018 (Sheldrick, 2015<i>b</i>)
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'w=1/[\s^2^(Fo^2^)+(0.0486P)^2^+1.0082P] where P=(Fo^2^+2Fc^2^)/3'
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'Adding full bibliography for 2312806--2312811.cif.'
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