##############################################################################
###                                                                        ###
###        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                #
#                                                                            #
##############################################################################
                                             
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Dimethyl 1H-pyrazole-3,5-dicarboxylate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C7 H8 N2 O4'
_chemical_formula_sum     'C7 H8 N2 O4'
_chemical_formula_iupac     'C7 H8 N2 O4'
_chemical_formula_weight     184.15
_chemical_melting_point     ?
_symmetry_cell_setting     Orthorhombic
_symmetry_space_group_name_H-M     'P n m a'
_symmetry_space_group_name_Hall     '-P 2ac 2n'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x+1/2, -y, z+1/2'
    '-x, y+1/2, -z'
    'x+1/2, -y+1/2, -z+1/2'
    '-x, -y, -z'
    'x-1/2, y, -z-1/2'
    'x, -y-1/2, z'
    '-x-1/2, y-1/2, z-1/2'
_cell_length_a     10.9563(14)
_cell_length_b     6.4983(8)
_cell_length_c     23.589(3)
_cell_angle_alpha     90.00
_cell_angle_beta     90.00
_cell_angle_gamma     90.00
_cell_volume     1679.5(4)
_cell_formula_units_Z     8
_cell_measurement_reflns_used     2089
_cell_measurement_theta_min     5.075
_cell_measurement_theta_max     51.887
_cell_measurement_temperature     293(2)
_exptl_crystal_description     prismatic
_exptl_crystal_colour     colorless
_exptl_crystal_size_max     0.489
_exptl_crystal_size_mid     0.335
_exptl_crystal_size_min     0.127
_exptl_crystal_density_diffrn     1.457
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     768
_exptl_absorpt_coefficient_mu     0.121
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 1996)'
_exptl_absorpt_correction_T_min     0.9431
_exptl_absorpt_correction_T_max     0.9848
_exptl_special_details
;
;
_diffrn_ambient_temperature     293(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     'Bruker SMART CCD area-detector'
_diffrn_measurement_method     'φ and ω'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     8106
_diffrn_reflns_av_R_equivalents     0.1156
_diffrn_reflns_av_sigmaI/netI     0.0722
_diffrn_reflns_theta_min     2.05
_diffrn_reflns_theta_max     25.09
_diffrn_reflns_theta_full     25.09
_diffrn_measured_fraction_theta_max     0.985
_diffrn_measured_fraction_theta_full     0.985
_diffrn_reflns_limit_h_min     -13
_diffrn_reflns_limit_h_max     11
_diffrn_reflns_limit_k_min     -7
_diffrn_reflns_limit_k_max     7
_diffrn_reflns_limit_l_min     -26
_diffrn_reflns_limit_l_max     28
_diffrn_standards_number     0
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     0
_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.
Highest peak    0.17  at  0.6417  0.2500  0.6281  [  0.90 A from N2 ]
 Deepest hole   -0.24  at  0.3595  0.2500  0.4390  [  0.95 A from C10 ]
;
_reflns_number_total     1614
_reflns_number_gt     1196
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0593
_refine_ls_R_factor_gt     0.0443
_refine_ls_wR_factor_gt     0.0994
_refine_ls_wR_factor_ref     0.1063
_refine_ls_goodness_of_fit_ref     0.966
_refine_ls_restrained_S_all     0.965
_refine_ls_number_reflns     1614
_refine_ls_number_parameters     162
_refine_ls_number_restraints     5
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
                 'calc w=1/[σ²(Fo²)+(0.0538P)²] 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     0.166
_refine_diff_density_min     -0.242
_refine_ls_extinction_method     SHELXL97
_refine_ls_extinction_coef     0.020(3)
_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'
    '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     'SMART (Bruker, 1998)'
_computing_cell_refinement     'SAINT (Bruker, 1998)'
_computing_data_reduction     'SAINT'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997a)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997a)'
_computing_molecular_graphics
;
ORTEPIII (Burnett & Johnson, 1996), ORTEP-3 for Windows (Farrugia,
1997) and
PLATON (Spek, 2003)
;
_computing_publication_material     'SHELXTL (Sheldrick, 1997b)'
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
    O O1 0.80198(16) 0.2500 0.71010(7) 0.0603(5) Uani d S 1 . .
    O O2 0.98429(15) 0.2500 0.66789(6) 0.0566(5) Uani d S 1 . .
    O O3 0.71755(15) 0.2500 0.42420(7) 0.0554(5) Uani d S 1 . .
    O O4 0.91928(14) 0.2500 0.43727(7) 0.0509(5) Uani d S 1 . .
    O O5 0.19936(16) 0.2500 0.56690(7) 0.0651(6) Uani d S 1 . .
    O O6 0.40030(16) 0.2500 0.58550(7) 0.0633(6) Uani d S 1 . .
    O O7 0.42515(16) 0.2500 0.30600(7) 0.0669(6) Uani d S 1 . .
    O O8 0.22351(14) 0.2500 0.32051(6) 0.0489(5) Uani d S 1 . .
    N N1 0.68713(16) 0.2500 0.54353(8) 0.0391(5) Uani d S 1 . .
    H H1 0.6186 0.2500 0.5258 0.047 Uiso calc SR 1 . .
    N N2 0.69628(17) 0.2500 0.59972(8) 0.0405(5) Uani d S 1 . .
    N N3 0.46241(17) 0.2500 0.42244(8) 0.0437(5) Uani d SD 1 . .
    H H3 0.5287 0.2500 0.4029 0.052 Uiso calc SRD 1 . .
    N N4 0.46048(16) 0.2500 0.47848(8) 0.0426(5) Uani d S 1 . .
    C C1 0.8175(2) 0.2500 0.60908(9) 0.0377(6) Uani d S 1 . .
    C C2 0.8834(2) 0.2500 0.55897(9) 0.0391(6) Uani d S 1 . .
    H H2 0.9678 0.2500 0.5548 0.047 Uiso calc SR 1 . .
    C C3 0.79727(19) 0.2500 0.51709(10) 0.0386(6) Uani d S 1 . .
    C C4 0.8624(2) 0.2500 0.66784(10) 0.0418(6) Uani d S 1 . .
    C C5 1.0440(3) 0.2500 0.72248(10) 0.0685(9) Uani d SD 1 . .
    H H5A 1.0381 0.1155 0.7391 0.103 Uiso calc PR 0.50 . .
    H H5B 1.0052 0.3486 0.7468 0.103 Uiso calc PRD 0.50 . .
    H H5C 1.1284 0.2859 0.7178 0.103 Uiso calc PR 0.50 . .
    C C6 0.8042(2) 0.2500 0.45525(10) 0.0404(6) Uani d S 1 . .
    C C7 0.9345(2) 0.2500 0.37656(11) 0.0694(9) Uani d SD 1 . .
    H H7A 1.0165 0.2097 0.3673 0.104 Uiso calc PRD 0.50 . .
    H H7B 0.9192 0.3856 0.3621 0.104 Uiso calc PRD 0.50 . .
    H H7C 0.8781 0.1547 0.3598 0.104 Uiso calc PR 0.50 . .
    C C8 0.3416(2) 0.2500 0.49172(9) 0.0361(5) Uani d S 1 . .
    C C9 0.2694(2) 0.2500 0.44305(9) 0.0366(5) Uani d S 1 . .
    H H9 0.1846 0.2500 0.4411 0.044 Uiso calc SR 1 . .
    C C10 0.3500(2) 0.2500 0.39891(10) 0.0385(6) Uani d S 1 . .
    C C11 0.3041(2) 0.2500 0.55114(10) 0.0439(6) Uani d S 1 . .
    C C12 0.3778(3) 0.2500 0.64513(11) 0.0934(12) Uani d SD 1 . .
    H H12A 0.3561 0.1137 0.6571 0.140 Uiso calc PR 0.50 . .
    H H12B 0.3122 0.3429 0.6536 0.140 Uiso calc PRD 0.50 . .
    H H12C 0.4501 0.2934 0.6648 0.140 Uiso calc PR 0.50 . .
    C C13 0.3392(2) 0.2500 0.33725(10) 0.0439(6) Uani d S 1 . .
    C C14 0.2036(3) 0.2500 0.25984(11) 0.0634(8) Uani d S 1 . .
    H H14A 0.2585 0.1541 0.2422 0.095 Uiso calc PR 0.50 . .
    H H14B 0.2183 0.3854 0.2451 0.095 Uiso calc PR 0.50 . .
    H H14C 0.1209 0.2104 0.2520 0.095 Uiso calc PR 0.50 . .
loop_
    _atom_site_aniso_label
    _atom_site_aniso_U_11
    _atom_site_aniso_U_22
    _atom_site_aniso_U_33
    _atom_site_aniso_U_12
    _atom_site_aniso_U_13
    _atom_site_aniso_U_23
    O1 0.0492(11) 0.0942(14) 0.0374(10) 0.000 0.0117(9) 0.000
    O2 0.0354(10) 0.1019(14) 0.0326(9) 0.000 -0.0037(7) 0.000
    O3 0.0294(10) 0.0929(14) 0.0440(10) 0.000 -0.0048(8) 0.000
    O4 0.0277(9) 0.0867(13) 0.0382(9) 0.000 0.0004(7) 0.000
    O5 0.0399(12) 0.1052(16) 0.0502(11) 0.000 0.0107(9) 0.000
    O6 0.0440(11) 0.1088(15) 0.0371(10) 0.000 -0.0066(9) 0.000
    O7 0.0404(11) 0.1171(17) 0.0433(11) 0.000 0.0096(9) 0.000
    O8 0.0360(10) 0.0784(12) 0.0325(9) 0.000 -0.0066(7) 0.000
    N1 0.0261(10) 0.0509(12) 0.0402(11) 0.000 -0.0041(8) 0.000
    N2 0.0329(12) 0.0504(12) 0.0384(11) 0.000 0.0005(9) 0.000
    N3 0.0260(11) 0.0687(14) 0.0365(11) 0.000 0.0016(8) 0.000
    N4 0.0284(11) 0.0613(13) 0.0380(11) 0.000 -0.0027(9) 0.000
    C1 0.0273(12) 0.0474(14) 0.0384(13) 0.000 -0.0028(10) 0.000
    C2 0.0257(12) 0.0530(15) 0.0387(13) 0.000 -0.0004(10) 0.000
    C3 0.0285(12) 0.0452(14) 0.0421(13) 0.000 -0.0005(10) 0.000
    C4 0.0334(13) 0.0479(15) 0.0441(14) 0.000 0.0032(11) 0.000
    C5 0.0526(18) 0.115(3) 0.0380(15) 0.000 -0.0143(13) 0.000
    C6 0.0289(13) 0.0527(15) 0.0396(13) 0.000 -0.0010(11) 0.000
    C7 0.0432(17) 0.121(3) 0.0442(16) 0.000 0.0064(13) 0.000
    C8 0.0279(12) 0.0412(13) 0.0391(13) 0.000 -0.0016(10) 0.000
    C9 0.0267(12) 0.0448(13) 0.0384(13) 0.000 -0.0040(10) 0.000
    C10 0.0278(12) 0.0459(14) 0.0418(13) 0.000 -0.0034(11) 0.000
    C11 0.0370(15) 0.0541(15) 0.0406(14) 0.000 -0.0031(11) 0.000
    C12 0.086(3) 0.161(3) 0.0332(16) 0.000 -0.0088(17) 0.000
    C13 0.0353(14) 0.0579(16) 0.0384(14) 0.000 0.0014(11) 0.000
    C14 0.0646(19) 0.088(2) 0.0374(14) 0.000 -0.0151(14) 0.000
_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
    O1 C4 . 1.197(3) ?
    O2 C4 . 1.335(3) ?
    O2 C5 . 1.444(3) ?
    O3 C6 . 1.199(3) ?
    O4 C6 . 1.330(3) ?
    O4 C7 . 1.442(3) ?
    O5 C11 . 1.206(3) ?
    O6 C11 . 1.330(3) ?
    O6 C12 . 1.428(3) ?
    O7 C13 . 1.196(3) ?
    O8 C13 . 1.327(3) ?
    O8 C14 . 1.448(3) ?
    N1 N2 . 1.329(3) ?
    N1 C3 . 1.358(3) ?
    N1 H1 . 0.8600 ?
    N2 C1 . 1.347(3) ?
    N3 N4 . 1.322(3) ?
    N3 C10 . 1.351(3) ?
    N3 H3 . 0.8600 ?
    N4 C8 . 1.340(3) ?
    C1 C2 . 1.385(3) ?
    C1 C4 . 1.471(3) ?
    C2 C3 . 1.366(3) ?
    C2 H2 . 0.9300 ?
    C3 C6 . 1.461(3) ?
    C5 H5A . 0.9600 ?
    C5 H5B . 0.9600 ?
    C5 H5C . 0.9600 ?
    C7 H7A . 0.9600 ?
    C7 H7B . 0.9600 ?
    C7 H7C . 0.9600 ?
    C8 C9 . 1.394(3) ?
    C8 C11 . 1.461(3) ?
    C9 C10 . 1.366(3) ?
    C9 H9 . 0.9300 ?
    C10 C13 . 1.459(3) ?
    C12 H12A . 0.9600 ?
    C12 H12B . 0.9600 ?
    C12 H12C . 0.9600 ?
    C14 H14A . 0.9600 ?
    C14 H14B . 0.9600 ?
    C14 H14C . 0.9600 ?
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 O2 C5 . . 116.98(19) ?
    C6 O4 C7 . . 115.25(18) ?
    C11 O6 C12 . . 117.6(2) ?
    C13 O8 C14 . . 115.95(19) ?
    N2 N1 C3 . . 113.02(18) ?
    N2 N1 H1 . . 123.5 ?
    C3 N1 H1 . . 123.5 ?
    N1 N2 C1 . . 103.76(18) ?
    N4 N3 C10 . . 113.34(19) ?
    N4 N3 H3 . . 123.3 ?
    C10 N3 H3 . . 123.3 ?
    N3 N4 C8 . . 104.40(18) ?
    N2 C1 C2 . . 111.97(19) ?
    N2 C1 C4 . . 119.0(2) ?
    C2 C1 C4 . . 129.1(2) ?
    C3 C2 C1 . . 104.9(2) ?
    C3 C2 H2 . . 127.5 ?
    C1 C2 H2 . . 127.5 ?
    N1 C3 C2 . . 106.34(19) ?
    N1 C3 C6 . . 120.33(19) ?
    C2 C3 C6 . . 133.3(2) ?
    O1 C4 O2 . . 123.5(2) ?
    O1 C4 C1 . . 126.9(2) ?
    O2 C4 C1 . . 109.6(2) ?
    O2 C5 H5A . . 109.5 ?
    O2 C5 H5B . . 109.5 ?
    H5A C5 H5B . . 109.5 ?
    O2 C5 H5C . . 109.5 ?
    H5A C5 H5C . . 109.5 ?
    H5B C5 H5C . . 109.5 ?
    O3 C6 O4 . . 123.8(2) ?
    O3 C6 C3 . . 124.7(2) ?
    O4 C6 C3 . . 111.58(19) ?
    O4 C7 H7A . . 109.5 ?
    O4 C7 H7B . . 109.5 ?
    H7A C7 H7B . . 109.5 ?
    O4 C7 H7C . . 109.5 ?
    H7A C7 H7C . . 109.5 ?
    H7B C7 H7C . . 109.5 ?
    N4 C8 C9 . . 111.1(2) ?
    N4 C8 C11 . . 119.8(2) ?
    C9 C8 C11 . . 129.1(2) ?
    C10 C9 C8 . . 105.1(2) ?
    C10 C9 H9 . . 127.4 ?
    C8 C9 H9 . . 127.4 ?
    N3 C10 C9 . . 106.1(2) ?
    N3 C10 C13 . . 118.9(2) ?
    C9 C10 C13 . . 135.0(2) ?
    O5 C11 O6 . . 124.5(2) ?
    O5 C11 C8 . . 124.3(2) ?
    O6 C11 C8 . . 111.2(2) ?
    O6 C12 H12A . . 109.5 ?
    O6 C12 H12B . . 109.5 ?
    H12A C12 H12B . . 109.5 ?
    O6 C12 H12C . . 109.5 ?
    H12A C12 H12C . . 109.5 ?
    H12B C12 H12C . . 109.5 ?
    O7 C13 O8 . . 124.7(2) ?
    O7 C13 C10 . . 123.4(2) ?
    O8 C13 C10 . . 112.0(2) ?
    O8 C14 H14A . . 109.5 ?
    O8 C14 H14B . . 109.5 ?
    H14A C14 H14B . . 109.5 ?
    O8 C14 H14C . . 109.5 ?
    H14A C14 H14C . . 109.5 ?
    H14B C14 H14C . . 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
    C3 N1 N2 C1 . . . . 0.0 ?
    C10 N3 N4 C8 . . . . 0.0 ?
    N1 N2 C1 C2 . . . . 0.0 ?
    N1 N2 C1 C4 . . . . 180.0 ?
    N2 C1 C2 C3 . . . . 0.0 ?
    C4 C1 C2 C3 . . . . 180.0 ?
    N2 N1 C3 C2 . . . . 0.0 ?
    N2 N1 C3 C6 . . . . 180.0 ?
    C1 C2 C3 N1 . . . . 0.0 ?
    C1 C2 C3 C6 . . . . 180.0 ?
    C5 O2 C4 O1 . . . . 0.0 ?
    C5 O2 C4 C1 . . . . 180.0 ?
    N2 C1 C4 O1 . . . . 0.0000(10)
                                 ?
    C2 C1 C4 O1 . . . . 180.0 ?
    N2 C1 C4 O2 . . . . 180.0 ?
    C2 C1 C4 O2 . . . . 0.0 ?
    C7 O4 C6 O3 . . . . 0.0 ?
    C7 O4 C6 C3 . . . . 180.0 ?
    N1 C3 C6 O3 . . . . 0.0 ?
    C2 C3 C6 O3 . . . . 180.0 ?
    N1 C3 C6 O4 . . . . 180.0 ?
    C2 C3 C6 O4 . . . . 0.0 ?
    N3 N4 C8 C9 . . . . 0.0 ?
    N3 N4 C8 C11 . . . . 180.0 ?
    N4 C8 C9 C10 . . . . 0.0 ?
    C11 C8 C9 C10 . . . . 180.0 ?
    N4 N3 C10 C9 . . . . 0.0 ?
    N4 N3 C10 C13 . . . . 180.0 ?
    C8 C9 C10 N3 . . . . 0.0 ?
    C8 C9 C10 C13 . . . . 180.0 ?
    C12 O6 C11 O5 . . . . 0.0 ?
    C12 O6 C11 C8 . . . . 180.0 ?
    N4 C8 C11 O5 . . . . 180.0 ?
    C9 C8 C11 O5 . . . . 0.0 ?
    N4 C8 C11 O6 . . . . 0.0 ?
    C9 C8 C11 O6 . . . . 180.0 ?
    C14 O8 C13 O7 . . . . 0.0 ?
    C14 O8 C13 C10 . . . . 180.0 ?
    N3 C10 C13 O7 . . . . 0.0 ?
    C9 C10 C13 O7 . . . . 180.0 ?
    N3 C10 C13 O8 . . . . 180.0 ?
    C9 C10 C13 O8 . . . . 0.0 ?
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
    _geom_hbond_publ_flag
    N3 H3 O3 1_555 0.86 2.13 2.796(2) 133.9 yes
    N1 H1 N4 1_555 0.86 2.06 2.919(2) 176.4 yes
    C2 H2 O5 1_655 0.93 2.55 3.467(3) 167.4 yes
    C7 H7A O8 1_655 0.96 2.54 3.431(3) 155.0 yes
    C5 H5C O1 4_556 0.96 2.56 3.243(3) 128.0 yes
    C14 H14C O7 4_455 0.96 2.56 3.424(3) 150.4 yes
data_global
_journal_date_recd_electronic     2007-04-19
_journal_date_accepted     2007-04-19
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2007
_journal_volume     63
_journal_issue      6
_journal_page_first     o2785
_journal_page_last     o2785
_journal_paper_category     QO
_journal_coeditor_code     DN2164
_publ_contact_author_name     'Qingxiang Zhou'
_publ_contact_author_address
;
 School of Chemistry and Environmental Sciences, Henan Normal University,
Henan Key Laboratory for Environmental pollution Control,
Xinxiang 453007, PR China
;
_publ_contact_author_email     zhouqx@126.com
_publ_contact_author_fax     '0086 373 3325971'
_publ_contact_author_phone     '0086 373 3325971'
_publ_section_title
;
Dimethyl 1H-pyrazole-3,5-dicarboxylate
;
loop_
    _publ_author_name
    _publ_author_address
    'Jun-Ping Xiao'
;
Department of Chemistry, University of Science and Technology Beijing,
Beijing 100083, People's Republic of China
;
    'Qing-Xiang Zhou'
;
School of Chemistry and Environmental Sciences, Henan Normal University,
Henan Key Laboratory for Environmental Pollution Control,
Xinxiang 453007, People's Republic of China
;
    'Jia-Hongwen Tu'
;
School of Chemistry and Environmental Sciences, Henan Normal University,
Henan Key Laboratory for Environmental Pollution Control,
Xinxiang 453007, People's Republic of China
;
