Twisted N-Acyl-hydantoins: Rotationally Inverted Urea-Imides of Relevance in N-C(O) Cross-coupling.
Szostak, Roman; Liu, Chengwei; Lalancette, Roger; Szostak, Michal; The Journal of organic chemistry 83 (2018) 14676–14682; doi:10.1021/acs.joc.8b02691

data_4035689
_publ_section_title
;
 Twisted N-Acyl-hydantoins: Rotationally Inverted Urea-Imides of Relevance
 in N-C(O) Cross-coupling.
;
_journal_issue                   23
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              14676
_journal_page_last               14682
_journal_paper_doi               10.1021/acs.joc.8b02691
_journal_volume                  83
_journal_year                    2018
_chemical_formula_moiety         'C12 H12 N2 O3'
_chemical_formula_sum            'C12 H12 N2 O3'
_chemical_formula_weight         232.24
_space_group_crystal_system      monoclinic
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_atom_sites_solution_hydrogens   mixed
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_cell_measurement_temperature    100(2)
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_computing_publication_material  SHELXTL
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_diffrn_measurement_device_type  'Bruker SMART CCD Apex-II area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           CuK\a
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_diffrn_reflns_Laue_measured_fraction_full 0.964
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_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            9220
_diffrn_reflns_point_group_measured_fraction_full 0.964
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_exptl_absorpt_coefficient_mu    0.826
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_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            colourless
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_exptl_crystal_size_min          0.030
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_refine_ls_R_factor_gt           0.0532
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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^)+(0.0715P)^2^+0.8438P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1390
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1593
_reflns_number_total             1991
_reflns_threshold_expression     'I > 2\s(I)'
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