The tropolone–isobutylamine complex: a hydrogen-bonded troponoid without dominant π–π interactions
Vealey, Zachary N.; Mercado, Brandon Q.; Vaccaro, Patrick H.; Acta Crystallographica Section C 72 (2016) 730–737; doi:10.1107/S2053229616013474

data_2020586
_publ_section_title
;
 The tropolone--isobutylamine complex: a hydrogen-bonded troponoid without
 dominant \p--\p interactions
;
_journal_coeditor_code           FN3219
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              730
_journal_page_last               737
_journal_paper_doi               10.1107/S2053229616013474
_journal_volume                  72
_journal_year                    2016
_chemical_formula_iupac          'C4 H12 N +, C7 H5 O2 -'
_chemical_formula_moiety         'C4 H12 N +, C7 H5 O2 -'
_chemical_formula_sum            'C11 H17 N O2'
_chemical_formula_weight         195.25
_chemical_name_systematic
;
Isobutylammonium 7-oxocyclohepta-1,3,5-trien-1-olate
;
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
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_computing_cell_refinement
;
CrystalClear-SM Expert (Rigaku, 2011)
;
_computing_data_collection
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CrystalClear-SM Expert (Rigaku, 2011)
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_computing_data_reduction
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CrystalClear-SM Expert (Rigaku, 2011)
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_computing_molecular_graphics
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OLEX2 (Dolomanov <i>et al.</i>,  2009)
;
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CIFTAB (Sheldrick, 2015b)
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SHELXL2013 (Sheldrick, 2015b)
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SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      93(2)
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_diffrn_measurement_device_type  'Rigaku Saturn 944+ CCD'
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_exptl_absorpt_correction_T_max  0.975
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_exptl_absorpt_process_details
;
(REQAB; Jacobson, 1998)
;
_exptl_crystal_colour            Colorless
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_exptl_crystal_description       Needle
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0529P)^2^+0.1575P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_depositor_comments          'Adding full bibliography for 2020586.cif.'
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