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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/  #
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#            Copyright International Union of Crystallography                #
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##############################################################################
                                             
data_I
_audit_creation_method     SHELXL97
_chemical_name_systematic
;
5-(2-Bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-amine
;
_chemical_name_common     ?
_chemical_formula_moiety     'C9 H8 Br N3 O2'
_chemical_formula_sum     'C9 H8 Br N3 O2'
_chemical_formula_iupac     'C9 H8 Br N3 O2'
_chemical_formula_weight     270.09
_chemical_melting_point     ?
_symmetry_cell_setting     Monoclinic
_symmetry_space_group_name_H-M     'P 21/c'
_symmetry_space_group_name_Hall     '-P 2ybc'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y-1/2, z-1/2'
_cell_length_a     18.1501(19)
_cell_length_b     10.3513(7)
_cell_length_c     11.0955(10)
_cell_angle_alpha     90.00
_cell_angle_beta     95.298(8)
_cell_angle_gamma     90.00
_cell_volume     2075.7(3)
_cell_formula_units_Z     8
_cell_measurement_reflns_used     9913
_cell_measurement_theta_min     3.6
_cell_measurement_theta_max     25.2
_cell_measurement_temperature     173(2)
_exptl_crystal_description     plate
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.47
_exptl_crystal_size_mid     0.36
_exptl_crystal_size_min     0.21
_exptl_crystal_density_diffrn     1.729
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1072
_exptl_absorpt_coefficient_mu     3.944
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(MULABS; Spek, 2003; Blessing, 1995)'
_exptl_absorpt_correction_T_min     0.2147
_exptl_absorpt_correction_T_max     0.4414
_exptl_special_details
;
Analysis for
C₉H₈BrN₃O₂, found (calculated): C 40 (40.04), H 2.89 (2.99), N 15.36
(15.56)%. Spectroscopic analysis: ¹H NMR (300 MHz, CDCl₃, δ, p.p.m.):
3.84 (s, 3H, --OCH₃), 5.16 (s, 2H, --NH₂), 6.88 (dd, J = 6.7 Hz, 1H, ArH),
7.36 (d, J = 2.28 Hz, 1H, ArH), 7.59 (d, J = 6.7 Hz, 1H, ArH); FAB-MS:
m/z 270 (100%, M⁺), m/z 271 (50%, M+1),
m/z 272 (98%, M+2).
;
_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     10488
_diffrn_reflns_av_R_equivalents     0.0791
_diffrn_reflns_av_sigmaI/netI     0.0914
_diffrn_reflns_theta_min     3.62
_diffrn_reflns_theta_max     25.03
_diffrn_reflns_theta_full     25.00
_diffrn_measured_fraction_theta_max     0.996
_diffrn_measured_fraction_theta_full     0.996
_diffrn_reflns_limit_h_min     -18
_diffrn_reflns_limit_h_max     21
_diffrn_reflns_limit_k_min     -12
_diffrn_reflns_limit_k_max     12
_diffrn_reflns_limit_l_min     -13
_diffrn_reflns_limit_l_max     13
_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     3644
_reflns_number_gt     2876
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0909
_refine_ls_R_factor_gt     0.0733
_refine_ls_wR_factor_gt     0.2069
_refine_ls_wR_factor_ref     0.2201
_refine_ls_goodness_of_fit_ref     1.046
_refine_ls_restrained_S_all     1.046
_refine_ls_number_reflns     3644
_refine_ls_number_parameters     274
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
       'calc w = 1/[σ²(Fo²)+(0.1458P)²+1.2938P] 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     1.772
_refine_diff_density_min     -1.417
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997)'
_refine_ls_extinction_coef     0.021(2)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
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'
    'N' 'N' 0.0061 0.0033
                         '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'
_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 0.51499(5) 0.47549(8) 0.17728(7) 0.0398(4) Uani d . 1 . .
    C C1 0.5573(4) 0.6682(6) 0.4087(5) 0.0205(14) Uani d . 1 . .
    O O1 0.5742(3) 0.7368(4) 0.5157(4) 0.0204(10) Uani d . 1 . .
    C C2 0.6471(5) 0.7659(7) 0.5122(6) 0.0267(16) Uani d . 1 . .
    N N1 0.6142(4) 0.6600(6) 0.3468(5) 0.0255(13) Uani d . 1 . .
    N N2 0.6739(3) 0.7235(6) 0.4141(5) 0.0254(13) Uani d . 1 . .
    N N3 0.6819(4) 0.8321(7) 0.6037(5) 0.0321(15) Uani d . 1 . .
    H H3A 0.7289 0.8524 0.6023 0.039 Uiso calc R 1 . .
    H H3B 0.6578 0.8555 0.6654 0.039 Uiso calc R 1 . .
    C C11 0.4818(4) 0.6210(6) 0.3897(5) 0.0203(14) Uani d . 1 . .
    C C12 0.4303(4) 0.6621(6) 0.4717(6) 0.0215(14) Uani d . 1 . .
    H H12 0.4460 0.7218 0.5339 0.026 Uiso calc R 1 . .
    C C13 0.3597(4) 0.6183(6) 0.4632(6) 0.0263(15) Uani d . 1 . .
    C C14 0.3343(5) 0.5289(7) 0.3730(7) 0.0297(16) Uani d . 1 . .
    H H14 0.2849 0.4971 0.3675 0.036 Uiso calc R 1 . .
    C C15 0.3838(5) 0.4888(6) 0.2927(7) 0.0284(16) Uani d . 1 . .
    H H15 0.3678 0.4274 0.2322 0.034 Uiso calc R 1 . .
    C C16 0.4551(4) 0.5343(6) 0.2972(6) 0.0223(14) Uani d . 1 . .
    O O17 0.3070(3) 0.6564(5) 0.5375(5) 0.0357(13) Uani d . 1 . .
    C C17 0.3289(5) 0.7586(8) 0.6231(7) 0.041(2) Uani d . 1 . .
    H H17A 0.3686 0.7273 0.6817 0.062 Uiso calc R 1 . .
    H H17B 0.2863 0.7842 0.6659 0.062 Uiso calc R 1 . .
    H H17C 0.3466 0.8332 0.5796 0.062 Uiso calc R 1 . .
    Br Br1A 0.99274(5) 0.49736(7) 0.65777(6) 0.0360(4) Uani d . 1 . .
    C C1A 1.0400(4) 0.3329(6) 0.9065(5) 0.0226(15) Uani d . 1 . .
    O O1A 1.0575(3) 0.2699(4) 1.0167(4) 0.0203(10) Uani d . 1 . .
    C C2A 1.1293(4) 0.2357(6) 1.0099(5) 0.0200(14) Uani d . 1 . .
    N N1A 1.0954(4) 0.3361(5) 0.8424(5) 0.0244(13) Uani d . 1 . .
    N N2A 1.1549(3) 0.2720(5) 0.9092(5) 0.0228(12) Uani d . 1 . .
    N N3A 1.1640(4) 0.1696(6) 1.1024(5) 0.0270(13) Uani d . 1 . .
    H H3A1 1.2103 0.1452 1.0994 0.032 Uiso calc R 1 . .
    H H3A2 1.1406 0.1507 1.1661 0.032 Uiso calc R 1 . .
    C C11A 0.9651(5) 0.3856(6) 0.8901(6) 0.0260(16) Uani d . 1 . .
    C C12A 0.9172(4) 0.3643(6) 0.9829(6) 0.0239(15) Uani d . 1 . .
    H H12A 0.9336 0.3111 1.0498 0.029 Uiso calc R 1 . .
    C C13A 0.8485(4) 0.4180(7) 0.9782(6) 0.0282(16) Uani d . 1 . .
    C C14A 0.8216(5) 0.4928(7) 0.8771(7) 0.0295(16) Uani d . 1 . .
    H H14A 0.7734 0.5294 0.8727 0.035 Uiso calc R 1 . .
    C C15A 0.8662(5) 0.5116(6) 0.7854(6) 0.0274(17) Uani d . 1 . .
    H H15A 0.8483 0.5613 0.7169 0.033 Uiso calc R 1 . .
    C C16A 0.9366(4) 0.4601(6) 0.7902(6) 0.0236(15) Uani d . 1 . .
    O O17A 0.7997(3) 0.4066(6) 1.0652(5) 0.0391(14) Uani d . 1 . .
    C C17A 0.8242(6) 0.3319(13) 1.1703(9) 0.068(3) Uani d . 1 . .
    H H17D 0.8330 0.2425 1.1463 0.101 Uiso calc R 1 . .
    H H17E 0.7861 0.3334 1.2275 0.101 Uiso calc R 1 . .
    H H17F 0.8702 0.3688 1.2090 0.101 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 C16 . 1.895(7) ?
    C1 N1 . 1.295(9) ?
    C1 O1 . 1.393(7) ?
    C1 C11 . 1.452(10) ?
    O1 C2 . 1.361(9) ?
    C2 N2 . 1.308(9) ?
    C2 N3 . 1.334(9) ?
    N1 N2 . 1.420(9) ?
    N3 H3A . 0.8800 ?
    N3 H3B . 0.8800 ?
    C11 C16 . 1.414(9) ?
    C11 C12 . 1.429(9) ?
    C12 C13 . 1.354(10) ?
    C12 H12 . 0.9500 ?
    C13 O17 . 1.376(9) ?
    C13 C14 . 1.409(10) ?
    C14 C15 . 1.386(12) ?
    C14 H14 . 0.9500 ?
    C15 C16 . 1.374(11) ?
    C15 H15 . 0.9500 ?
    O17 C17 . 1.453(9) ?
    C17 H17A . 0.9800 ?
    C17 H17B . 0.9800 ?
    C17 H17C . 0.9800 ?
    Br1A C16A . 1.903(7) ?
    C1A N1A . 1.283(9) ?
    C1A O1A . 1.396(7) ?
    C1A C11A . 1.460(11) ?
    O1A C2A . 1.359(8) ?
    C2A N2A . 1.304(8) ?
    C2A N3A . 1.342(8) ?
    N1A N2A . 1.418(8) ?
    N3A H3A1 . 0.8800 ?
    N3A H3A2 . 0.8800 ?
    C11A C16A . 1.408(9) ?
    C11A C12A . 1.425(10) ?
    C12A C13A . 1.362(11) ?
    C12A H12A . 0.9500 ?
    C13A O17A . 1.375(9) ?
    C13A C14A . 1.413(10) ?
    C14A C15A . 1.371(11) ?
    C14A H14A . 0.9500 ?
    C15A C16A . 1.382(11) ?
    C15A H15A . 0.9500 ?
    O17A C17A . 1.436(10) ?
    C17A H17D . 0.9800 ?
    C17A H17E . 0.9800 ?
    C17A H17F . 0.9800 ?
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
    N1 C1 O1 . . 111.2(6) ?
    N1 C1 C11 . . 133.5(6) ?
    O1 C1 C11 . . 115.3(6) ?
    C2 O1 C1 . . 103.1(5) ?
    N2 C2 N3 . . 128.3(7) ?
    N2 C2 O1 . . 112.8(6) ?
    N3 C2 O1 . . 119.0(6) ?
    C1 N1 N2 . . 107.4(5) ?
    C2 N2 N1 . . 105.6(6) ?
    C2 N3 H3A . . 120.0 ?
    C2 N3 H3B . . 120.0 ?
    H3A N3 H3B . . 120.0 ?
    C16 C11 C12 . . 116.8(7) ?
    C16 C11 C1 . . 125.1(6) ?
    C12 C11 C1 . . 118.1(6) ?
    C13 C12 C11 . . 121.8(6) ?
    C13 C12 H12 . . 119.1 ?
    C11 C12 H12 . . 119.1 ?
    C12 C13 O17 . . 124.6(6) ?
    C12 C13 C14 . . 121.0(7) ?
    O17 C13 C14 . . 114.4(7) ?
    C15 C14 C13 . . 117.6(8) ?
    C15 C14 H14 . . 121.2 ?
    C13 C14 H14 . . 121.2 ?
    C16 C15 C14 . . 122.6(7) ?
    C16 C15 H15 . . 118.7 ?
    C14 C15 H15 . . 118.7 ?
    C15 C16 C11 . . 120.2(7) ?
    C15 C16 Br1 . . 117.6(5) ?
    C11 C16 Br1 . . 122.2(6) ?
    C13 O17 C17 . . 115.9(6) ?
    O17 C17 H17A . . 109.5 ?
    O17 C17 H17B . . 109.5 ?
    H17A C17 H17B . . 109.5 ?
    O17 C17 H17C . . 109.5 ?
    H17A C17 H17C . . 109.5 ?
    H17B C17 H17C . . 109.5 ?
    N1A C1A O1A . . 111.8(6) ?
    N1A C1A C11A . . 133.5(6) ?
    O1A C1A C11A . . 114.7(6) ?
    C2A O1A C1A . . 102.4(5) ?
    N2A C2A N3A . . 128.5(7) ?
    N2A C2A O1A . . 113.1(6) ?
    N3A C2A O1A . . 118.4(6) ?
    C1A N1A N2A . . 107.3(5) ?
    C2A N2A N1A . . 105.5(6) ?
    C2A N3A H3A1 . . 120.0 ?
    C2A N3A H3A2 . . 120.0 ?
    H3A1 N3A H3A2 . . 120.0 ?
    C16A C11A C12A . . 116.7(7) ?
    C16A C11A C1A . . 124.9(6) ?
    C12A C11A C1A . . 118.4(6) ?
    C13A C12A C11A . . 121.8(6) ?
    C13A C12A H12A . . 119.1 ?
    C11A C12A H12A . . 119.1 ?
    C12A C13A O17A . . 125.8(6) ?
    C12A C13A C14A . . 120.2(7) ?
    O17A C13A C14A . . 114.0(7) ?
    C15A C14A C13A . . 118.8(8) ?
    C15A C14A H14A . . 120.6 ?
    C13A C14A H14A . . 120.6 ?
    C14A C15A C16A . . 121.6(7) ?
    C14A C15A H15A . . 119.2 ?
    C16A C15A H15A . . 119.2 ?
    C15A C16A C11A . . 120.9(7) ?
    C15A C16A Br1A . . 116.8(5) ?
    C11A C16A Br1A . . 122.3(6) ?
    C13A O17A C17A . . 116.4(7) ?
    O17A C17A H17D . . 109.5 ?
    O17A C17A H17E . . 109.5 ?
    H17D C17A H17E . . 109.5 ?
    O17A C17A H17F . . 109.5 ?
    H17D C17A H17F . . 109.5 ?
    H17E C17A H17F . . 109.5 ?
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
    N1 C1 O1 C2 . . . . -1.2(7) ?
    C11 C1 O1 C2 . . . . 178.4(5) ?
    C1 O1 C2 N2 . . . . 1.1(7) ?
    C1 O1 C2 N3 . . . . -179.6(6) ?
    O1 C1 N1 N2 . . . . 1.0(7) ?
    C11 C1 N1 N2 . . . . -178.6(6) ?
    N3 C2 N2 N1 . . . . -179.8(7) ?
    O1 C2 N2 N1 . . . . -0.5(7) ?
    C1 N1 N2 C2 . . . . -0.3(7) ?
    N1 C1 C11 C16 . . . . 8.9(11) ?
    O1 C1 C11 C16 . . . . -170.6(6) ?
    N1 C1 C11 C12 . . . . -172.5(7) ?
    O1 C1 C11 C12 . . . . 7.9(8) ?
    C16 C11 C12 C13 . . . . 1.4(9) ?
    C1 C11 C12 C13 . . . . -177.2(6) ?
    C11 C12 C13 O17 . . . . -178.4(6) ?
    C11 C12 C13 C14 . . . . 0.6(10) ?
    C12 C13 C14 C15 . . . . -0.8(10) ?
    O17 C13 C14 C15 . . . . 178.3(6) ?
    C13 C14 C15 C16 . . . . -1.0(10) ?
    C14 C15 C16 C11 . . . . 3.1(10) ?
    C14 C15 C16 Br1 . . . . -177.6(5) ?
    C12 C11 C16 C15 . . . . -3.1(9) ?
    C1 C11 C16 C15 . . . . 175.4(6) ?
    C12 C11 C16 Br1 . . . . 177.6(5) ?
    C1 C11 C16 Br1 . . . . -3.9(9) ?
    C12 C13 O17 C17 . . . . 5.3(10) ?
    C14 C13 O17 C17 . . . . -173.7(6) ?
    N1A C1A O1A C2A . . . . -0.4(7) ?
    C11A C1A O1A C2A . . . . -177.9(5) ?
    C1A O1A C2A N2A . . . . 0.2(7) ?
    C1A O1A C2A N3A . . . . -178.8(6) ?
    O1A C1A N1A N2A . . . . 0.4(7) ?
    C11A C1A N1A N2A . . . . 177.2(7) ?
    N3A C2A N2A N1A . . . . 178.9(6) ?
    O1A C2A N2A N1A . . . . 0.0(7) ?
    C1A N1A N2A C2A . . . . -0.2(7) ?
    N1A C1A C11A C16A . . . . -1.1(12) ?
    O1A C1A C11A C16A . . . . 175.7(6) ?
    N1A C1A C11A C12A . . . . -179.2(7) ?
    O1A C1A C11A C12A . . . . -2.4(8) ?
    C16A C11A C12A C13A . . . . -3.0(10) ?
    C1A C11A C12A C13A . . . . 175.3(6) ?
    C11A C12A C13A O17A . . . . -177.6(7) ?
    C11A C12A C13A C14A . . . . 2.8(11) ?
    C12A C13A C14A C15A . . . . -1.0(11) ?
    O17A C13A C14A C15A . . . . 179.3(6) ?
    C13A C14A C15A C16A . . . . -0.4(11) ?
    C14A C15A C16A C11A . . . . 0.2(10) ?
    C14A C15A C16A Br1A . . . . -178.7(5) ?
    C12A C11A C16A C15A . . . . 1.5(10) ?
    C1A C11A C16A C15A . . . . -176.6(6) ?
    C12A C11A C16A Br1A . . . . -179.7(5) ?
    C1A C11A C16A Br1A . . . . 2.2(9) ?
    C12A C13A O17A C17A . . . . 0.5(12) ?
    C14A C13A O17A C17A . . . . -179.8(8) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    N3 H3A N2A 2_756 0.88 2.28 3.043(9) 144.7
    N3 H3B N1 4_576 0.88 2.24 3.067(8) 157.5
    N3A H3A1 N2 2_746 0.88 2.27 3.015(9) 142.3
    N3A H3A2 N1A 4_566 0.88 2.19 3.043(8) 161.9
data_global
_journal_date_recd_electronic     2006-08-22
_journal_date_accepted     2006-09-04
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2006
_journal_volume     62
_journal_issue     10
_journal_page_first     o4442
_journal_page_last     o4443
_journal_paper_category     EO
_journal_coeditor_code     SG2054
_publ_contact_author_name     'Dr Michael Bolte'
_publ_contact_author_address
;
Institut fur Anorganische Chemie
J. W. Goethe-Universitat
Max-von-Laue-Strasse 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
;
5-(2-Bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-amine
;
loop_
    _publ_author_name
    _publ_author_address
    'Yathirajan, H. S.'
;
Department of Studies in Chemistry
University of Mysore
Manasagangotri
Mysore 570 006
India
;
    'Bindya, S.'
;
Department of Chemistry
Sri Jayachamarajendra College of Engineering
Manasagangotri
Mysore 570
India
;
    'Ashalatha, B. V.'
;
Department of Chemistry
Mangalore University
Mangalagangotri 574 199
India
;
    'Narayana, B.'
;
Department of Chemistry
Mangalore University
Mangalagangotri 574 199
India
;
    'Bolte, Michael'
;
Institut für Anorganische Chemie
J. W. Goethe-Universität Frankfurt
Max-von-Laue-Strasse 7
60438 Frankfurt/Main
Germany
;
