Synthesis and characterization of 3-methyl-6-[(propynyloxy)methyl]-1,4-dioxane-2,5-dione
Elkin, Igor; Maris, Thierry; Hildgen, Patrice; Acta Crystallographica Section E 73 (2017) 1044–1047; doi:10.1107/S2056989017008581

data_2242209
_publ_section_title
;
 Synthesis and characterization of
 3-methyl-6-[(propynyloxy)methyl]-1,4-dioxane-2,5-dione
;
_journal_coeditor_code           FF2148
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              1044
_journal_page_last               1047
_journal_paper_doi               10.1107/S2056989017008581
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          'C9 H10 O5'
_chemical_formula_moiety         'C9 H10 O5'
_chemical_formula_sum            'C9 H10 O5'
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_chemical_name_systematic
;
3-Methyl-6-[(propynyloxy)methyl]-1,4-dioxane-2,5-dione
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
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;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
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;
SAINT (Bruker, 2016)
;
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APEX3 (Bruker, 2016)
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SAINT (Bruker, 2016)
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OLEX2 (Dolomanov <i>et al.</i>,  2009)
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OLEX2 (Dolomanov <i>et al.</i>,  2009) and Mercury (Macrae <i>et
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SHELXL2016 (Sheldrick, 2015b)
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SHELXT (Sheldrick, 2015a)
;
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;
(SADABS; Krause <i>et al.</i>, 2015)
;
_exptl_crystal_colour            'clear light colourless'
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_exptl_crystal_size_mid          0.075
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;
SHELXL2016 (Sheldrick, 2015b)
;
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_refine_ls_number_restraints     0
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_refine_ls_R_factor_gt           0.0630
_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^)+(0.1166P)^2^+0.2436P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_database_fobs_code          2242209
_shelx_estimated_absorpt_t_min   0.932
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