Ethyl 3-[2-(<i>p</i>-toluenesulfonamido)phenyl]acrylate
Jin, Mei-Fang; Zhu, Bao-Yong; Acta Crystallographica Section E 65 (2009) o2312–; doi:10.1107/S1600536809034163

data_2223274
_publ_section_title
;
 Ethyl 3-[2-(<i>p</i>-toluenesulfonamido)phenyl]acrylate
;
_journal_coeditor_code           BG2295
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o2312
_journal_paper_doi               10.1107/S1600536809034163
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          'C18 H19 N O4 S'
_chemical_formula_moiety         'C18 H19 N O4 S'
_chemical_formula_sum            'C18 H19 N O4 S'
_chemical_formula_weight         345.40
_chemical_name_systematic
;
Ethyl 3-[2-(<i>p</i>-toluenesulfonamido)phenyl]acrylate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                81.182(5)
_cell_angle_beta                 70.895(4)
_cell_angle_gamma                86.604(5)
_cell_formula_units_Z            2
_cell_length_a                   8.001(4)
_cell_length_b                   10.245(5)
_cell_length_c                   11.402(5)
_cell_measurement_reflns_used    8607
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      29.1785
_cell_measurement_theta_min      2.7465
_cell_volume                     872.7(7)
_computing_cell_refinement
'<i>CrysAlis Pro</i> (Oxford Diffraction, 2006)'
_computing_data_collection
'<i>CrysAlis Pro</i> (Oxford Diffraction, 2006)'
_computing_data_reduction
'<i>CrysAlis Pro</i> (Oxford Diffraction, 2006)'
_computing_molecular_graphics
'ORTEP-3 for Windows (Farrugia, 1997) and CAMERON (Pearce & Watkin, 1993)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      291(2)
_diffrn_detector_area_resol_mean 15.9149
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Oxford Diffraction Gemini S Ultra'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_k_min       -12
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_diffrn_reflns_theta_max         26.37
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_exptl_absorpt_correction_T_max  0.93
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            colourless
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_refine_ls_R_factor_all          0.0546
_refine_ls_R_factor_gt           0.0438
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0903P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_cod_data_source_file            bg2295.cif
_cod_data_source_block           I
_cod_original_cell_volume        872.7(8)
_cod_database_code               2223274
_cod_database_fobs_code          2223274