Protonated nucleobases are not fully ionized in their chloride salt crystals and form metastable base pairs further stabilized by the surrounding anions
Kumar, Prashant; Cabaj, Malgorzata Katarzyna; Pazio, Aleksandra; Dominiak, Paulina Maria; IUCrJ 5 (2018) –; doi:10.1107/S2052252518006346

data_1549525
_publ_section_title
;
 Protonated nucleobases are not fully ionized in their chloride salt
 crystals and form metastable base pairs further stabilized by the
 surrounding anions
;
_journal_coeditor_code           LC5097SUP1
_journal_issue                   4
_journal_name_full               IUCrJ
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2052252518006346
_journal_volume                  5
_journal_year                    2018
_chemical_formula_moiety         'C4 H6 N3 O, Cl'
_chemical_formula_sum            'C4 H6 Cl N3 O'
_chemical_formula_weight         147.557
_chemical_name_systematic        'cytosinium chloride'
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_symmetry_space_group_name_Hall  '-P 2yn'
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
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  1 omega  -24.00   71.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
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  2 omega  -24.00   71.00   1.0000    4.0000
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  4 omega  -32.00   74.00   1.0000    4.0000
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  5 omega  -24.00   71.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
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  6 omega  -20.00   45.00   1.0000    4.0000
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  7 omega  -20.00   45.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
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  8 omega  -71.00   24.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
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  9 omega  -32.00   74.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
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 10 omega -132.00  -26.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -59.3035  -77.0000   90.8077 106

 11 omega -132.00  -26.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -59.3035  -77.0000 -120.0000 106

 12 omega  -92.00   13.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
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 13 omega -132.00  -26.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -59.3035  -77.0000  -60.0000 106

 14 omega -132.00  -26.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -59.3035  -77.0000   30.0000 106

 15 omega -119.00   -2.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
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 16 omega -132.00  -26.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -59.3035  -77.0000   60.0000 106

 17 omega -132.00  -26.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -59.3035  -77.0000  120.0000 106

 18 omega -132.00  -26.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -59.3035  -77.0000    0.0000 106

 19 omega -132.00  -82.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -59.3035  -77.0000  -17.2181 50

;
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
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Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            'transparent colorless'
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