Steric repulsion and supra-molecular assemblies <i>via</i> a two-dimensional plate by C-H⋯O hydrogen bonds in two closely related 2-(benzo-furan-2-yl)-2-oxoethyl benzoates.
Then, Li Yee; Chidan Kumar, C. S.; Kwong, Huey Chong; Win, Yip-Foo; Mah, Siau Hui; Quah, Ching Kheng; Naveen, S.; Warad, Ismail; Acta crystallographica. Section E, Crystallographic communications 73 (2017) 1227–1231; doi:10.1107/S2056989017010556

data_2311397
_publ_section_title
;
 Steric repulsion and supra-molecular assemblies <i>via</i> a
 two-dimensional plate by C-H&#x22EF;O hydrogen bonds in two closely
 related 2-(benzo-furan-2-yl)-2-oxoethyl benzoates.
;
_journal_coeditor_code           QM2117
_journal_issue                   'Pt 8'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              1227
_journal_page_last               1231
_journal_paper_doi               10.1107/S2056989017010556
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          'C17 H11 Cl O4'
_chemical_formula_moiety         'C17 H11 Cl O4'
_chemical_formula_sum            'C17 H11 Cl O4'
_chemical_formula_weight         314.71
_chemical_name_systematic
;
2-(Benzofuran-2-yl)-2-oxoethyl 2-chlorobenzoate
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
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_cell_angle_alpha                92.283(3)
_cell_angle_beta                 91.536(3)
_cell_angle_gamma                99.638(3)
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_cell_length_c                   11.5186(18)
_cell_measurement_reflns_used    4675
_cell_measurement_temperature    294(2)
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_cell_measurement_theta_min      2.49
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_computing_cell_refinement
;
SAINT (Bruker, 2009)
;
_computing_data_collection
;
APEX2 (Bruker, 2009)
;
_computing_data_reduction
;
SAINT (Bruker, 2009)
;
_computing_molecular_graphics
;
SHELXL2013 (Sheldrick, 2015) and Mercury (Macrae <i>et al.</i>,
2006)
;
_computing_publication_material
;
SHELXL2013 (Sheldrick, 2015) and PLATON (Spek, 2009)
;
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;
SHELXL2014 (Sheldrick, 2015)
;
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;
XS (Sheldrick, 2013)
;
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.978
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;
Bruker APEXII DUO CCD area-detector
;
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0263
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.258
_diffrn_reflns_theta_min         1.770
_exptl_absorpt_coefficient_mu    0.284
_exptl_absorpt_correction_T_max  0.944
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_exptl_absorpt_process_details
;
(SADABS; Bruker, 2009)
;
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_exptl_crystal_size_min          0.205
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_refine_diff_density_min         -0.274
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         3798
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0611
_refine_ls_R_factor_gt           0.0449
_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^)+(0.0759P)^2^+0.1547P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1286
_refine_ls_wR_factor_ref         0.1453
_reflns_number_gt                2860
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            qm2117sup1.cif
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