1-(5,5-Dimethoxypentyl)-3-methylimidazolium-2-carboxylate
Walter, Olaf; Acta Crystallographica Section E 69 (2013) o1611–; doi:10.1107/S1600536813027013

data_2238728
_publ_section_title
;
 1-(5,5-Dimethoxypentyl)-3-methylimidazolium-2-carboxylate
;
_journal_coeditor_code           HB7143
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1611
_journal_paper_doi               10.1107/S1600536813027013
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          'C12 H20 N2 O4'
_chemical_formula_moiety         'C12 H20 N2 O4'
_chemical_formula_sum            'C12 H20 N2 O4'
_chemical_formula_weight         256.30
_chemical_name_systematic
;
1-(5,5-Dimethoxypentyl)-3-methylimidazolium-2-carboxylate
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
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_cell_measurement_theta_min      2.811
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_computing_molecular_graphics
'XPMA (Zsolnai, 1996) and ORTEP-3 for Windows (Farrugia, 2012)'
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_refine_diff_density_min         -0.322
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_refine_ls_number_reflns         3192
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_refine_ls_R_factor_all          0.0900
_refine_ls_R_factor_gt           0.0539
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.1021P)^2^]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1783
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_reflns_threshold_expression     I>2\s(I)
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