Weak intermolecular interactions in isomorphous 5-(2-chloroethoxy)-2,3-dihydro-1,4-benzodioxine and 5-(2-bromoethoxy)-2,3-dihydro-1,4-benzodioxine: bonding or nonbonding interactions
Kruszynski, Rafal; Acta Crystallographica Section C 65 (2009) o396–o399; doi:10.1107/S0108270109020551

data_2017241
_publ_section_title
;
 Weak intermolecular interactions in isomorphous
 5-(2-chloroethoxy)-2,3-dihydro-1,4-benzodioxine and
 5-(2-bromoethoxy)-2,3-dihydro-1,4-benzodioxine: bonding or nonbonding
 interactions
;
_journal_coeditor_code           GD3288
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              o396
_journal_page_last               o399
_journal_paper_doi               10.1107/S0108270109020551
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          'C10 H11 Br O3'
_chemical_formula_moiety         'C10 H11 Br O3'
_chemical_formula_sum            'C10 H11 Br O3'
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_chemical_name_systematic
;
5-(2-bromoethoxy)-2,3-dihydro-1,4-benzodioxine
;
_space_group_IT_number           9
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_cell_angle_beta                 104.690(9)
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_computing_molecular_graphics
;
XP in SHELXTL/PC (Sheldrick, 2008) and
ORTEP-3 (Version 1.062; Farrugia, 1997)
;
_computing_publication_material
;
SHELXL97 (Sheldrick, 2008) and
PLATON (Spek, 2009)
;
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_diffrn_reflns_theta_min         3.07
_diffrn_standards_decay_%        0.0
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;
(X-RED; Stoe & Cie, 1999)
;
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_refine_diff_density_min         -0.183
_refine_ls_abs_structure_details 'Flack (1983), 854 Friedel pairs'
_refine_ls_abs_structure_Flack   0.039(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         1746
_refine_ls_number_restraints     2
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_refine_ls_R_factor_all          0.0183
_refine_ls_R_factor_gt           0.0178
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0171P)^2^+0.3561P] where P=(Fo^2^+2Fc^2^)/3'
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_refine_ls_wR_factor_ref         0.0475
_reflns_number_gt                1712
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            gd3288.cif
_cod_data_source_block           II
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_cod_original_sg_symbol_H-M      'C c'
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