Functionalization of Alkenes through Telescoped Continuous Flow Aziridination Processes.
Hsueh, Nathanael; Clarkson, Guy J.; Shipman, Michael; Organic letters 18 (2016) 4908–4911; doi:10.1021/acs.orglett.6b02349

data_1555754
_publ_section_title
;
 Functionalization of Alkenes through Telescoped Continuous Flow
 Aziridination Processes.
;
_journal_issue                   19
_journal_name_full               'Organic letters'
_journal_page_first              4908
_journal_page_last               4911
_journal_paper_doi               10.1021/acs.orglett.6b02349
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety         'C15 H17 I N2 O3 S'
_chemical_formula_sum            'C15 H17 I N2 O3 S'
_chemical_formula_weight         432.26
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
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Olex2 1.2
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
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;
  1 omega  -50.00   33.00   1.0000    6.0000
omega____ theta____ kappa____ phi______ frames
    -      -41.7109   38.0000 -180.0000 83

  2 omega  -50.00   33.00   1.0000    6.0000
omega____ theta____ kappa____ phi______ frames
    -      -41.7109   38.0000   90.0000 83

  3 omega  -50.00   33.00   1.0000    6.0000
omega____ theta____ kappa____ phi______ frames
    -      -41.7109   38.0000  -60.0000 83

  4 omega  -30.00   70.00   1.0000    6.0000
omega____ theta____ kappa____ phi______ frames
    -       41.7109  -57.0000  -90.0000 100

  5 omega   42.00  143.00   1.0000   24.0000
omega____ theta____ kappa____ phi______ frames
    -      114.0000  -61.0000 -150.0000 101

  6 omega   38.00   91.00   1.0000   24.0000
omega____ theta____ kappa____ phi______ frames
    -      114.0000  -30.0000  -60.0000 53

  7 omega   41.00   98.00   1.0000   24.0000
omega____ theta____ kappa____ phi______ frames
    -      114.0000  -45.0000   90.0000 57

  8 omega   38.00   91.00   1.0000   24.0000
omega____ theta____ kappa____ phi______ frames
    -      114.0000  -30.0000 -150.0000 53

  9 omega   41.00   98.00   1.0000   24.0000
omega____ theta____ kappa____ phi______ frames
    -      114.0000  -45.0000   60.0000 57

 10 omega   32.00  109.00   1.0000   24.0000
omega____ theta____ kappa____ phi______ frames
    -      114.0000  -95.0000    0.0000 77

 11 omega  100.00  178.00   1.0000   24.0000
omega____ theta____ kappa____ phi______ frames
    -      114.0000  111.0000  -30.0000 78

 12 omega   86.00  178.00   1.0000   24.0000
omega____ theta____ kappa____ phi______ frames
    -      114.0000   30.0000  -30.0000 92

 13 omega -118.00   -9.00   1.0000    6.0000
omega____ theta____ kappa____ phi______ frames
    -      -41.7109  -77.0000   60.0000 109

 14 omega   48.00  115.00   1.0000    6.0000
omega____ theta____ kappa____ phi______ frames
    -       41.7109   57.0000  -60.0000 67

 15 omega   14.00  115.00   1.0000    6.0000
omega____ theta____ kappa____ phi______ frames
    -       41.7109   57.0000 -150.0000 101

 16 omega   38.00  116.00   1.0000   24.0000
omega____ theta____ kappa____ phi______ frames
    -      114.0000 -111.0000   90.0000 78

 17 omega   61.00  178.00   1.0000   24.0000
omega____ theta____ kappa____ phi______ frames
    -      114.0000   15.0000  120.0000 117

 18 omega   88.00  178.00   1.0000   24.0000
omega____ theta____ kappa____ phi______ frames
    -      114.0000   45.0000 -180.0000 90

 19 omega   85.00  178.00   1.0000   24.0000
omega____ theta____ kappa____ phi______ frames
    -      114.0000   61.0000  -90.0000 93

 20 omega   86.00  178.00   1.0000   24.0000
omega____ theta____ kappa____ phi______ frames
    -      114.0000   30.0000   30.0000 92

 21 omega   86.00  178.00   1.0000   24.0000
omega____ theta____ kappa____ phi______ frames
    -      114.0000   30.0000 -120.0000 92
;
_diffrn_measurement_device       'four-circle diffractometer'
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_diffrn_reflns_av_unetI/netI     0.0198
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_diffrn_reflns_limit_k_min       -14
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_diffrn_reflns_limit_l_min       -19
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_source                   'Enhance (Cu) X-ray Source'
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'light yellow'
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_exptl_crystal_F_000             856
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'w=1/[\s^2^(Fo^2^)+(0.0515P)^2^+1.5311P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_database_code               1555754
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_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B)
2.b Aromatic/amide H refined with riding coordinates:
 C6(H6), C7(H7), C8(H8), C9(H9), C16(H16), C18(H18), C19(H19)
2.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C20(H20A,H20B,H20C)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'