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###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
#            Copyright International Union of Crystallography                #
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##############################################################################
                                             
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
(2E)-1-(3-Bromo-2-thienyl)-3-(4-chlorophenyl)prop-2-en-1-one
;
_chemical_name_common     ?
_chemical_formula_moiety     'C13 H8 Br Cl O S'
_chemical_formula_sum     'C13 H8 Br Cl O S'
_chemical_formula_iupac     'C13 H8 Br Cl O S'
_chemical_formula_weight     327.61
_chemical_melting_point     ?
_symmetry_cell_setting     Monoclinic
_symmetry_space_group_name_H-M     'P n'
_symmetry_space_group_name_Hall     'P -2yac'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    'x+1/2, -y, z+1/2'
_cell_length_a     17.955(2)
_cell_length_b     3.9563(3)
_cell_length_c     17.973(2)
_cell_angle_alpha     90.00
_cell_angle_beta     99.646(9)
_cell_angle_gamma     90.00
_cell_volume     1258.7(2)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     7620
_cell_measurement_theta_min     3.8
_cell_measurement_theta_max     25.6
_cell_measurement_temperature     173(2)
_exptl_crystal_description     plate
_exptl_crystal_colour     yellow
_exptl_crystal_size_max     0.32
_exptl_crystal_size_mid     0.24
_exptl_crystal_size_min     0.12
_exptl_crystal_density_diffrn     1.729
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     648
_exptl_absorpt_coefficient_mu     3.622
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(MULABS; Spek, 2003; Blessing, 1995)'
_exptl_absorpt_correction_T_min     0.3903
_exptl_absorpt_correction_T_max     0.6704
_exptl_special_details
;
;
_diffrn_ambient_temperature     173(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Stoe IPDS-II two-circle'
_diffrn_measurement_method     ω
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     7621
_diffrn_reflns_av_R_equivalents     0.0754
_diffrn_reflns_av_sigmaI/netI     0.0539
_diffrn_reflns_theta_min     3.81
_diffrn_reflns_theta_max     25.61
_diffrn_reflns_theta_full     25.00
_diffrn_measured_fraction_theta_max     0.991
_diffrn_measured_fraction_theta_full     0.996
_diffrn_reflns_limit_h_min     -21
_diffrn_reflns_limit_h_max     21
_diffrn_reflns_limit_k_min     -4
_diffrn_reflns_limit_k_max     4
_diffrn_reflns_limit_l_min     -21
_diffrn_reflns_limit_l_max     21
_diffrn_standards_number     0
_diffrn_standards_interval_count     .
_diffrn_standards_interval_time     .
_diffrn_standards_decay_%     ?
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     4349
_reflns_number_gt     4201
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0617
_refine_ls_R_factor_gt     0.0600
_refine_ls_wR_factor_gt     0.1584
_refine_ls_wR_factor_ref     0.1601
_refine_ls_goodness_of_fit_ref     1.065
_refine_ls_restrained_S_all     1.065
_refine_ls_number_reflns     4349
_refine_ls_number_parameters     309
_refine_ls_number_restraints     2
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.1235P)²+0.2142P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.902
_refine_diff_density_min     -0.686
_refine_ls_extinction_method     SHELXL97
_refine_ls_extinction_coef     0.0072(18)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_abs_structure_details     'Flack (1983), 2001 Friedel pairs'
_refine_ls_abs_structure_Flack     -0.013(16)
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Br' 'Br' -0.2901 2.4595
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cl' 'Cl' 0.1484 0.1585
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'S' 'S' 0.1246 0.1234
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'X-AREA (Stoe & Cie, 2001)'
_computing_cell_refinement     'X-AREA'
_computing_data_reduction     'X-AREA'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'XP in SHELXTL-Plus (Sheldrick, 1991)'
_computing_publication_material     SHELXL97
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Br Br1 0.59071(6) 1.1042(3) 0.74739(6) 0.0343(4) Uani d . 1 . .
    S S1 0.49688(19) 1.0924(8) 0.95931(16) 0.0289(7) Uani d . 1 . .
    Cl Cl1 0.3051(2) 0.1204(9) 0.38436(18) 0.0412(8) Uani d . 1 . .
    O O1 0.3731(5) 0.796(3) 0.8607(5) 0.035(2) Uani d . 1 . .
    C C1 0.4955(6) 1.009(3) 0.8648(6) 0.0215(18) Uani d . 1 . .
    C C2 0.5612(7) 1.120(3) 0.8454(7) 0.026(2) Uani d . 1 . .
    C C3 0.6129(7) 1.270(3) 0.9052(7) 0.029(2) Uani d . 1 . .
    H H3 0.6610 1.3588 0.9004 0.035 Uiso calc R 1 . .
    C C4 0.5832(7) 1.269(3) 0.9699(7) 0.029(2) Uani d . 1 . .
    H H4 0.6086 1.3586 1.0164 0.034 Uiso calc R 1 . .
    C C5 0.4270(7) 0.842(3) 0.8247(6) 0.022(2) Uani d . 1 . .
    C C6 0.4217(7) 0.730(3) 0.7457(6) 0.026(2) Uani d . 1 . .
    H H6 0.4649 0.7526 0.7220 0.031 Uiso calc R 1 . .
    C C7 0.3597(8) 0.598(3) 0.7065(7) 0.027(2) Uani d . 1 . .
    H H7 0.3176 0.5792 0.7319 0.033 Uiso calc R 1 . .
    C C11 0.3482(6) 0.477(3) 0.6274(6) 0.023(2) Uani d . 1 . .
    C C12 0.4067(7) 0.478(3) 0.5852(6) 0.029(3) Uani d . 1 . .
    H H12 0.4554 0.5556 0.6075 0.035 Uiso calc R 1 . .
    C C13 0.3946(8) 0.367(3) 0.5111(8) 0.034(3) Uani d . 1 . .
    H H13 0.4349 0.3645 0.4829 0.040 Uiso calc R 1 . .
    C C14 0.3226(7) 0.258(3) 0.4780(6) 0.029(2) Uani d . 1 . .
    C C15 0.2641(7) 0.256(3) 0.5178(7) 0.028(2) Uani d . 1 . .
    H H15 0.2154 0.1786 0.4950 0.034 Uiso calc R 1 . .
    C C16 0.2771(7) 0.370(3) 0.5934(7) 0.028(3) Uani d . 1 . .
    H H16 0.2366 0.3727 0.6213 0.034 Uiso calc R 1 . .
    Br Br1A 0.48897(7) -0.1519(3) 0.35885(7) 0.0348(3) Uani d . 1 . .
    S S1A 0.70292(17) -0.0748(8) 0.26925(17) 0.0300(7) Uani d . 1 . .
    Cl Cl1A 0.12050(19) 0.7757(10) 0.06545(18) 0.0420(8) Uani d . 1 . .
    O O1A 0.6054(6) 0.250(3) 0.1504(5) 0.038(2) Uani d . 1 . .
    C C1A 0.6071(7) -0.017(3) 0.2666(6) 0.022(2) Uani d . 1 . .
    C C2A 0.5879(7) -0.150(3) 0.3333(6) 0.023(2) Uani d . 1 . .
    C C3A 0.6466(8) -0.295(3) 0.3822(7) 0.034(3) Uani d . 1 . .
    H H3A 0.6417 -0.3968 0.4290 0.041 Uiso calc R 1 . .
    C C4A 0.7135(8) -0.272(3) 0.3542(8) 0.033(3) Uani d . 1 . .
    H H4A 0.7603 -0.3578 0.3797 0.040 Uiso calc R 1 . .
    C C5A 0.5673(7) 0.165(3) 0.1978(6) 0.027(2) Uani d . 1 . .
    C C6A 0.4868(7) 0.230(3) 0.1891(6) 0.027(2) Uani d . 1 . .
    H H6A 0.4588 0.1335 0.2242 0.033 Uiso calc R 1 . .
    C C7A 0.4506(7) 0.423(3) 0.1325(7) 0.027(2) Uani d . 1 . .
    H H7A 0.4801 0.5157 0.0983 0.032 Uiso calc R 1 . .
    C C11A 0.3695(7) 0.502(3) 0.1190(6) 0.026(2) Uani d . 1 . .
    C C12A 0.3201(8) 0.439(3) 0.1708(7) 0.029(3) Uani d . 1 . .
    H H12A 0.3397 0.3412 0.2184 0.035 Uiso calc R 1 . .
    C C13A 0.2457(7) 0.514(4) 0.1548(7) 0.032(3) Uani d . 1 . .
    H H13A 0.2137 0.4623 0.1904 0.038 Uiso calc R 1 . .
    C C14A 0.2152(8) 0.669(3) 0.0854(7) 0.032(2) Uani d . 1 . .
    C C15A 0.2636(8) 0.739(3) 0.0330(6) 0.030(2) Uani d . 1 . .
    H H15A 0.2438 0.8382 -0.0143 0.036 Uiso calc R 1 . .
    C C16A 0.3389(7) 0.663(3) 0.0500(6) 0.025(2) Uani d . 1 . .
    H H16A 0.3713 0.7193 0.0152 0.030 Uiso calc R 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Br1 C2 . 1.924(13) ?
    S1 C4 . 1.682(14) ?
    S1 C1 . 1.727(11) ?
    Cl1 C14 . 1.746(11) ?
    O1 C5 . 1.264(16) ?
    C1 C2 . 1.358(18) ?
    C1 C5 . 1.471(16) ?
    C2 C3 . 1.427(17) ?
    C3 C4 . 1.357(18) ?
    C3 H3 . 0.9500 ?
    C4 H4 . 0.9500 ?
    C5 C6 . 1.476(15) ?
    C6 C7 . 1.320(18) ?
    C6 H6 . 0.9500 ?
    C7 C11 . 1.481(15) ?
    C7 H7 . 0.9500 ?
    C11 C16 . 1.387(17) ?
    C11 C12 . 1.395(16) ?
    C12 C13 . 1.385(17) ?
    C12 H12 . 0.9500 ?
    C13 C14 . 1.397(18) ?
    C13 H13 . 0.9500 ?
    C14 C15 . 1.367(17) ?
    C15 C16 . 1.414(16) ?
    C15 H15 . 0.9500 ?
    C16 H16 . 0.9500 ?
    Br1A C2A . 1.907(12) ?
    S1A C4A . 1.697(14) ?
    S1A C1A . 1.727(12) ?
    Cl1A C14A . 1.731(14) ?
    O1A C5A . 1.225(16) ?
    C1A C2A . 1.404(17) ?
    C1A C5A . 1.505(15) ?
    C2A C3A . 1.381(17) ?
    C3A C4A . 1.38(2) ?
    C3A H3A . 0.9500 ?
    C4A H4A . 0.9500 ?
    C5A C6A . 1.451(18) ?
    C6A C7A . 1.349(17) ?
    C6A H6A . 0.9500 ?
    C7A C11A . 1.469(17) ?
    C7A H7A . 0.9500 ?
    C11A C12A . 1.413(18) ?
    C11A C16A . 1.420(16) ?
    C12A C13A . 1.352(18) ?
    C12A H12A . 0.9500 ?
    C13A C14A . 1.415(17) ?
    C13A H13A . 0.9500 ?
    C14A C15A . 1.41(2) ?
    C15A C16A . 1.369(18) ?
    C15A H15A . 0.9500 ?
    C16A H16A . 0.9500 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    C4 S1 C1 . . 93.0(6) ?
    C2 C1 C5 . . 135.2(10) ?
    C2 C1 S1 . . 108.6(8) ?
    C5 C1 S1 . . 116.1(9) ?
    C1 C2 C3 . . 115.2(11) ?
    C1 C2 Br1 . . 127.5(9) ?
    C3 C2 Br1 . . 117.3(9) ?
    C4 C3 C2 . . 110.2(12) ?
    C4 C3 H3 . . 124.9 ?
    C2 C3 H3 . . 124.9 ?
    C3 C4 S1 . . 113.0(9) ?
    C3 C4 H4 . . 123.5 ?
    S1 C4 H4 . . 123.5 ?
    O1 C5 C1 . . 117.6(10) ?
    O1 C5 C6 . . 121.1(11) ?
    C1 C5 C6 . . 121.3(10) ?
    C7 C6 C5 . . 123.1(11) ?
    C7 C6 H6 . . 118.5 ?
    C5 C6 H6 . . 118.5 ?
    C6 C7 C11 . . 127.6(12) ?
    C6 C7 H7 . . 116.2 ?
    C11 C7 H7 . . 116.2 ?
    C16 C11 C12 . . 118.8(11) ?
    C16 C11 C7 . . 119.5(11) ?
    C12 C11 C7 . . 121.7(11) ?
    C13 C12 C11 . . 120.7(12) ?
    C13 C12 H12 . . 119.6 ?
    C11 C12 H12 . . 119.6 ?
    C12 C13 C14 . . 119.5(12) ?
    C12 C13 H13 . . 120.2 ?
    C14 C13 H13 . . 120.2 ?
    C15 C14 C13 . . 121.1(11) ?
    C15 C14 Cl1 . . 118.2(10) ?
    C13 C14 Cl1 . . 120.7(9) ?
    C14 C15 C16 . . 118.9(11) ?
    C14 C15 H15 . . 120.6 ?
    C16 C15 H15 . . 120.6 ?
    C11 C16 C15 . . 120.9(12) ?
    C11 C16 H16 . . 119.5 ?
    C15 C16 H16 . . 119.5 ?
    C4A S1A C1A . . 92.6(6) ?
    C2A C1A C5A . . 136.9(11) ?
    C2A C1A S1A . . 108.3(8) ?
    C5A C1A S1A . . 114.8(9) ?
    C3A C2A C1A . . 115.4(11) ?
    C3A C2A Br1A . . 119.2(10) ?
    C1A C2A Br1A . . 125.5(9) ?
    C4A C3A C2A . . 111.0(12) ?
    C4A C3A H3A . . 124.5 ?
    C2A C3A H3A . . 124.5 ?
    C3A C4A S1A . . 112.7(10) ?
    C3A C4A H4A . . 123.7 ?
    S1A C4A H4A . . 123.7 ?
    O1A C5A C6A . . 122.6(10) ?
    O1A C5A C1A . . 117.3(11) ?
    C6A C5A C1A . . 120.0(11) ?
    C7A C6A C5A . . 121.7(11) ?
    C7A C6A H6A . . 119.1 ?
    C5A C6A H6A . . 119.1 ?
    C6A C7A C11A . . 125.7(12) ?
    C6A C7A H7A . . 117.2 ?
    C11A C7A H7A . . 117.2 ?
    C12A C11A C16A . . 117.4(11) ?
    C12A C11A C7A . . 124.7(11) ?
    C16A C11A C7A . . 117.9(11) ?
    C13A C12A C11A . . 121.9(11) ?
    C13A C12A H12A . . 119.0 ?
    C11A C12A H12A . . 119.0 ?
    C12A C13A C14A . . 120.3(12) ?
    C12A C13A H13A . . 119.8 ?
    C14A C13A H13A . . 119.8 ?
    C15A C14A C13A . . 118.9(12) ?
    C15A C14A Cl1A . . 120.4(9) ?
    C13A C14A Cl1A . . 120.7(11) ?
    C16A C15A C14A . . 120.2(10) ?
    C16A C15A H15A . . 119.9 ?
    C14A C15A H15A . . 119.9 ?
    C15A C16A C11A . . 121.2(11) ?
    C15A C16A H16A . . 119.4 ?
    C11A C16A H16A . . 119.4 ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    C4 S1 C1 C2 . . . . -0.1(9) ?
    C4 S1 C1 C5 . . . . -179.8(9) ?
    C5 C1 C2 C3 . . . . 179.9(12) ?
    S1 C1 C2 C3 . . . . 0.2(13) ?
    C5 C1 C2 Br1 . . . . 1(2) ?
    S1 C1 C2 Br1 . . . . -178.5(6) ?
    C1 C2 C3 C4 . . . . -0.3(15) ?
    Br1 C2 C3 C4 . . . . 178.6(9) ?
    C2 C3 C4 S1 . . . . 0.2(14) ?
    C1 S1 C4 C3 . . . . -0.1(10) ?
    C2 C1 C5 O1 . . . . -174.9(13) ?
    S1 C1 C5 O1 . . . . 4.8(14) ?
    C2 C1 C5 C6 . . . . 6(2) ?
    S1 C1 C5 C6 . . . . -174.4(9) ?
    O1 C5 C6 C7 . . . . 5.0(18) ?
    C1 C5 C6 C7 . . . . -175.8(11) ?
    C5 C6 C7 C11 . . . . -180.0(11) ?
    C6 C7 C11 C16 . . . . -175.1(12) ?
    C6 C7 C11 C12 . . . . 2.9(18) ?
    C16 C11 C12 C13 . . . . -1.3(18) ?
    C7 C11 C12 C13 . . . . -179.4(11) ?
    C11 C12 C13 C14 . . . . 1.0(19) ?
    C12 C13 C14 C15 . . . . -0.8(19) ?
    C12 C13 C14 Cl1 . . . . 179.3(10) ?
    C13 C14 C15 C16 . . . . 0.8(18) ?
    Cl1 C14 C15 C16 . . . . -179.3(9) ?
    C12 C11 C16 C15 . . . . 1.3(17) ?
    C7 C11 C16 C15 . . . . 179.4(10) ?
    C14 C15 C16 C11 . . . . -1.1(18) ?
    C4A S1A C1A C2A . . . . 1.1(9) ?
    C4A S1A C1A C5A . . . . 179.2(9) ?
    C5A C1A C2A C3A . . . . -178.8(13) ?
    S1A C1A C2A C3A . . . . -1.2(13) ?
    C5A C1A C2A Br1A . . . . 3(2) ?
    S1A C1A C2A Br1A . . . . -179.9(6) ?
    C1A C2A C3A C4A . . . . 0.8(15) ?
    Br1A C2A C3A C4A . . . . 179.5(9) ?
    C2A C3A C4A S1A . . . . 0.1(14) ?
    C1A S1A C4A C3A . . . . -0.7(10) ?
    C2A C1A C5A O1A . . . . 178.4(13) ?
    S1A C1A C5A O1A . . . . 0.9(15) ?
    C2A C1A C5A C6A . . . . -2(2) ?
    S1A C1A C5A C6A . . . . -179.9(9) ?
    O1A C5A C6A C7A . . . . -8.0(19) ?
    C1A C5A C6A C7A . . . . 172.9(11) ?
    C5A C6A C7A C11A . . . . 179.9(11) ?
    C6A C7A C11A C12A . . . . 12.1(19) ?
    C6A C7A C11A C16A . . . . -170.0(12) ?
    C16A C11A C12A C13A . . . . 2.9(19) ?
    C7A C11A C12A C13A . . . . -179.2(12) ?
    C11A C12A C13A C14A . . . . -2(2) ?
    C12A C13A C14A C15A . . . . 1.0(19) ?
    C12A C13A C14A Cl1A . . . . -178.3(10) ?
    C13A C14A C15A C16A . . . . -1.3(18) ?
    Cl1A C14A C15A C16A . . . . 178.0(9) ?
    C14A C15A C16A C11A . . . . 2.5(18) ?
    C12A C11A C16A C15A . . . . -3.2(17) ?
    C7A C11A C16A C15A . . . . 178.7(11) ?
data_global
_journal_date_recd_electronic     2006-08-21
_journal_date_accepted     2006-09-13
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2006
_journal_volume     62
_journal_issue     10
_journal_page_first     o4551
_journal_page_last     o4553
_journal_paper_category     EO
_journal_coeditor_code     FL2053
_publ_contact_author
;
      Dr. Michael Bolte
      Institut für Anorganische Chemie
      J. W. Goethe-Universität
      Max-von-Laue-Str. 7
      60438 Frankfurt/Main
      Germany
;
_publ_contact_author_email     bolte@chemie.uni-frankfurt.de
_publ_contact_author_fax     '49 69 798 29239'
_publ_contact_author_phone     '49 69 798 29136'
_publ_section_title
;
(2E)-1-(3-Bromo-2-thienyl)-3-(4-chlorophenyl)prop-2-en-1-one, a twinned
crystal structure
;
loop_
    _publ_author_name
    _publ_author_address
    'Yathirajan, H. S.'
;     Department of Studies in Chemistry
      University of Mysore
      Manasagangotri,
      Mysore 570 006,
      India
;
    'Ashalatha, B.'
;     Department of Chemistry,
      Mangalore University,
      Mangalagangotri 574 199
      India
;
    'Narayana, B.'
;     Department of Chemistry,
      Mangalore University,
      Mangalagangotri 574 199,
      India
;
    'Bindya, S.'
;     Department of Chemistry,
      Sri Jayachamarajendra College of Engineering,
      Manasagangotri,
      Mysore 570 006
      India
;
    'Bolte, Michael'
;     Institut für Anorganische Chemie
      J. W. Goethe-Universität Frankfurt
      Max-von-Laue-Strasse 7
      60438 Frankfurt/Main
      Germany
;
