Formation or Cleavage of Rings via Sulfide-Mediated Reduction Offers Background-Free Detection of Sulfide.
Ghosh, Sanjib; Roy, Biswajit; Bandyopadhyay, Subhajit; The Journal of organic chemistry 84 (2019) 12031–12039; doi:10.1021/acs.joc.9b01946

data_4034454
_publ_section_title
;
 Formation or Cleavage of Rings via Sulfide-Mediated Reduction Offers
 Background-Free Detection of Sulfide.
;
_journal_issue                   18
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              12031
_journal_page_last               12039
_journal_paper_doi               10.1021/acs.joc.9b01946
_journal_volume                  84
_journal_year                    2019
_chemical_formula_moiety         'C10 H5 N5'
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Olex2 1.2
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
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  1 omega  -11.00  103.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
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  2 omega  -55.00   82.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
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  3 omega  -20.00   15.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
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  4 omega   35.00  121.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
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  5 omega  -12.00  108.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
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_diffrn_source                   'SuperNova (Mo) X-ray Source'
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CrysAlisPro, Agilent Technologies,
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Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            brown
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'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_chemical_oxdiff_formula         'C H N'
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;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C7(H7), C3(H3), C1(H1), C2(H2), C4(H4)
;
_olex2_date_sample_data_collection 2018-06-21
_olex2_submission_special_instructions 'No special instructions were received'