data_2011297
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2000
_journal_volume  56
_journal_page_first  1159
_journal_page_last  1160
_publ_section_title
;
3,5-Bis(N,N-dimethylaminomethyleneamino)-1-methyl-4-nitropyrazole from X-ray
powder diffraction data
;
loop_
_publ_author_name
  'Chernyshev, Vladimir V.'
  'Tafeenko, Victor A.'
  'Makarov, Vadim A.'
  'Sonneveld, Eduard J.'
  'Schenk, Hendrik'
_chemical_formula_sum  'C10 H17 N7 O2'
_chemical_formula_weight  267.31
_symmetry_cell_setting  'triclinic'
_symmetry_space_group_name_H-M  'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, -z'
_cell_length_a  9.577(4)
_cell_length_b  9.972(4)
_cell_length_c  7.602(4)
_cell_angle_alpha  106.11(3)
_cell_angle_beta  95.12(3)
_cell_angle_gamma  78.22(3)
_cell_volume  682.4(6)
_cell_formula_units_Z  2
_cell_measurement_temperature  295(2)
_exptl_crystal_density_diffrn  1.301
_diffrn_ambient_temperature  295(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
  C1  .2844(8)  .2175(8)  .1494(9)  .086(2) Uiso d . 1 . C
  C2  .2381(9)  .2000(8)  .3140(10)
  .086(2) Uiso d . 1 . C
  N3  .1944(7)  .3381(7)  .4229(7)  .086(2) Uiso d . 1 . N
  N4  .1994(6)  .4386(6)  .3388(7)  .086(2) Uiso d . 1 . N
  C5  .2669(7)  .3714(8)  .1763(9)  .086(2) Uiso d . 1 . C
  N6  .3278(6)  .1123(6)  -.0118(7)  .086(2) Uiso d . 1 . N
  O7  .3453(5)  -.0175(4)  -.0372(6)  .086(2) Uiso d . 1 . O
  O8  .3419(5)  .1418(5)  -.1546(5)  .086(2) Uiso d . 1 . O
  N9  .2987(6)  .4304(6)  .0468(7)  .086(2) Uiso d . 1 . N
  N10  .2233(6)  .0834(7)  .3677(7)  .086(2) Uiso d . 1 . N
  C11  .1363(9)  .3592(8)  .6010(10)
  .086(2) Uiso d . 1 . C
  C12  .3277(9)  -.0317(8)  .3374(9)  .102(2) Uiso d . 1 . C
  C13  .1999(9)  .5439(8)  .0590(10)
  .102(2) Uiso d . 1 . C
  N14  .3275(7)  -.1442(7)  .4030(8)  .102(2) Uiso d . 1 . N
  N15  .2085(8)  .6444(7)  -.0280(7)  .102(2) Uiso d . 1 . N
  C16  .4500(10)
  -.2592(9)  .3821(9)  .102(2) Uiso d . 1 . C
  C17  .2040(10)
  -.1560(8)  .4890(10)
  .102(2) Uiso d . 1 . C
  C18  .3390(10)
  .6366(8)  -.1190(10)
  .102(2) Uiso d . 1 . C
  C19  .0870(10)
  .7560(10)
  -.0350(10)
  .102(2) Uiso d . 1 . C
  H20  .109(4)  .560(4)  .129(5)  .051 Uiso d . 1 . H
  H21  .064(4)  .294(4)  .580(5)  .051 Uiso d . 1 . H
  H22  .223(4)  .332(4)  .684(5)  .051 Uiso d . 1 . H
  H23  .404(5)  -.034(5)  .249(5)  .051 Uiso d . 1 . H
  H24  .091(4)  .466(4)  .644(5)  .051 Uiso d . 1 . H
  H25  .539(5)  -.212(4)  .406(5)  .051 Uiso d . 1 . H
  H26  .444(4)  -.321(4)  .249(5)  .051 Uiso d . 1 . H
  H27  .440(5)  -.312(4)  .477(5)  .051 Uiso d . 1 . H
  H28  .118(4)  -.144(4)  .399(5)  .051 Uiso d . 1 . H
  H29  .193(5)  -.075(4)  .610(5)  .051 Uiso d . 1 . H
  H30  .226(4)  -.254(4)  .514(5)  .051 Uiso d . 1 . H
  H31  .359(4)  .537(4)  -.210(5)  .051 Uiso d . 1 . H
  H32  .418(4)  .649(4)  -.016(5)  .051 Uiso d . 1 . H
  H33  .318(5)  .718(4)  -.181(5)  .051 Uiso d . 1 . H
  H34  .060(5)  .807(4)  .098(5)  .051 Uiso d . 1 . H
  H35  .007(5)  .707(5)  -.109(5)  .051 Uiso d . 1 . H
  H36  .120(5)  .821(4)  -.100(5)  .051 Uiso d . 1 . H
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
  C1 N6 . 1.405(8) no
  C1 C2 . 1.430(10)
  no
  C1 C5 . 1.470(10)
  no
  C2 N10 . 1.370(10)
  no
  C2 N3 . 1.396(9) no
  N3 N4 . 1.340(10)
  no
  N3 C11 . 1.450(10)
  no
  N4 C5 . 1.378(8) no
  C5 N9 . 1.360(10)
  no
  N6 O8 . 1.226(8) no
  N6 O7 . 1.233(7) no
  N9 C13 . 1.306(9) no
  N10 C12 . 1.340(9) no
  C12 N14 . 1.350(10)
  no
  C13 N15 . 1.370(10)
  no
  N14 C17 . 1.440(10)
  no
  N14 C16 . 1.450(10)
  no
  N15 C19 . 1.440(10)
  no
  N15 C18 . 1.460(10)
  no
  C11 H21 . 1.02(4) no
  C11 H22 . 1.03(4) no
  C11 H24 . 1.03(3) no
  C12 H23 . 1.03(5) no
  C13 H20 . 1.02(4) no
  C16 H25 . 1.03(5) no
  C16 H26 . 1.03(4) no
  C16 H27 . 1.02(5) no
  C17 H28 . 1.03(4) no
  C17 H29 . 1.04(3) no
  C17 H30 . 1.02(5) no
  C18 H31 . 1.03(4) no
  C18 H32 . 1.03(4) no
  C18 H33 . 1.03(5) no
  C19 H34 . 1.03(4) no
  C19 H35 . 1.03(5) no
  C19 H36 . 1.03(5) no