(<i>E</i>)-3-{4-[(7-Chloroquinolin-4-yl)oxy]-3-methoxyphenyl}-1-(4-methylphenyl)prop-2-en-1-one: a ladder-like structure resulting solely from π–π stacking interactions
Montoya, Alba; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher; Acta Crystallographica Section C 70 (2014) 677–680; doi:10.1107/S2053229614013588

data_2019594
_publ_section_title
;
 (<i>E</i>)-3-{4-[(7-Chloroquinolin-4-yl)oxy]-3-methoxyphenyl}-1-(4-methylphenyl)prop-2-en-1-one:
 a ladder-like structure resulting solely from \p--\p stacking
 interactions
;
_journal_coeditor_code           YF3063
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              677
_journal_page_last               680
_journal_paper_doi               10.1107/S2053229614013588
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac          'C26 H20 Cl N O3'
_chemical_formula_moiety         'C26 H20 Cl N O3'
_chemical_formula_sum            'C26 H20 Cl N O3'
_chemical_formula_weight         429.88
_chemical_name_systematic
(<i>E</i>)-3-{4-[(7-Chloroquinolin-4-yl)oxy]-3-methoxyphenyl}-1-(4-methylphenyl)prop-2-en-1-one
_space_group_IT_number           14
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_cell_angle_gamma                90.00
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_cell_length_b                   32.170(3)
_cell_length_c                   8.5382(10)
_cell_measurement_reflns_used    4753
_cell_measurement_temperature    120(2)
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_cell_measurement_theta_min      2.81
_cell_volume                     2074.5(4)
_computing_cell_refinement       'DIRAX/LSQ (Duisenberg <i>et al.</i>, 2000)'
_computing_data_collection       'COLLECT (Nonius, 1999)'
_computing_data_reduction        'EVALCCD (Duisenberg <i>et al.</i>, 2003)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material
;
SHELXL97 (Sheldrick, 2008) and PLATON (Spek, 2009)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker Nonius KappaCCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_av_sigmaI/netI    0.0709
_diffrn_reflns_limit_h_max       10
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_diffrn_reflns_limit_k_max       41
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_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
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_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         3.30
_diffrn_standards_decay_%        0
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_diffrn_standards_interval_time  0
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_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            yellow
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_refine_diff_density_min         -0.370
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         4747
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.1270
_refine_ls_R_factor_gt           0.0546
_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^)+(0.0661P)^2^+0.7161P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                2666
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_reflns_threshold_expression     I>2\s(I)
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_cod_depositor_comments          'Adding full bibliography for 2019594.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2019594
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