The solid-state structure of the β-blocker metoprolol: a combined experimental and in silico investigation
Rossi, Patrizia; Paoli, Paola; Chelazzi, Laura; Conti, Luca; Bencini, Andrea; Acta Crystallographica Section C Structural Chemistry 75 (2019) –; doi:10.1107/S2053229618017084

data_2021431
_publ_section_title
;
 The solid-state structure of the \b-blocker metoprolol: a combined
 experimental and in silico investigation
;
_journal_coeditor_code           KY3155
_journal_issue                   2
_journal_name_full
'Acta Crystallographica Section C Structural Chemistry'
_journal_paper_doi               10.1107/S2053229618017084
_journal_volume                  75
_journal_year                    2019
_chemical_formula_iupac          'C15 H25 N O3'
_chemical_formula_moiety         'C15 H25 N O3'
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_chemical_name_systematic
;
(<i>RS</i>)-1-Isopropylamino-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol
;
_space_group_crystal_system      monoclinic
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_computing_cell_refinement
;
CrysAlis PRO (Rigaku OD, 2018)
;
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CrysAlis PRO (Rigaku OD, 2018)
;
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CrysAlis PRO (Rigaku OD, 2018)
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ORTEP-3 (Farrugia, 2012), Mercury (Macrae <i>et al.</i>,  2008)
and
Discovery Studio Visualizer (Accelrys, 2018)
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PARST97 (Nardelli, 1995)
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SHELXL2014 (Sheldrick, 2015)
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SIR2004 (Burla <i>et al.</i>,  2005)
;
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;
(CrysAlis PRO; Rigaku OD, 2018)
;
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_refine_ls_structure_factor_coef Fsqd
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