#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2010245.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2010245
_journal_name_full  'Acta Crystallographica'
_journal_year  1994
_journal_volume  C50
_journal_page_first  1998
_journal_page_last  2000
_publ_section_title
;
Structures of Pyrazolo[1,5-a]pyridine Derivatives
;
loop_
_publ_author_name
  'Kakehi, A.'
  'Kitajima, K.'
  'Ito, S.'
  'Takusagawa, N.'
_chemical_formula_sum  'C14 H9 N3'
_chemical_formula_weight  219.25
_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,1/2-y,1/2+z'
  '-x,-y,-z'
  '-x,1/2+y,1/2-z'
_cell_length_a  5.5060(10)
_cell_length_b  9.754(2)
_cell_length_c  20.339(2)
_cell_angle_alpha  90
_cell_angle_beta  91.19(2)
_cell_angle_gamma  90
_cell_volume  1092.1(3)
_cell_formula_units_Z  4
_cell_measurement_temperature  295
_exptl_crystal_density_diffrn  1.333
_refine_ls_R_factor_obs  0.047
_refine_ls_wR_factor_obs  0.053
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
  N(1) .6807(3) .1750(2) .50450(10)
  N(2) .6798(4) .0919(2) .45080(10)
  N(3) -.0149(4) .3791(3) .41070(10)
  C(1) .4853(4) .1323(3) .41460(10)
  C(2) .3624(4) .2403(3) .44610(10)
  C(3) .4917(4) .2674(3) .50470(10)
  C(4) .4739(5) .3576(3) .5579(2)
  C(5) .6451(6) .3529(3) .6068(2)
  C(6) .8389(5) .2586(3) .6043(2)
  C(7) .8552(5) .1701(3) .55380(10)
  C(8) .4326(5) .0633(3) .35170(10)
  C(9) .5948(6) -.0309(4) .3280(2)
  C(10) .5479(7) -.1010(5) .2699(3)
  C(11) .3406(7) -.0779(4) .2338(2)
  C(12) .1783(7) .0161(4) .2561(2)
  C(13) .2215(6) .0854(4) .3149(2)
  C(14) .1512(5) .3161(3) .42530(10)
  H(1) .345(5) .419(2) .5600(10)
  H(2) .632(5) .420(3) .6450(10)
  H(3) .969(5) .255(3) .6440(10)
  H(4) .974(5) .096(3) .5470(10)
  H(5) .744(6) -.050(4) .354(2)
  H(6) .650(7) -.160(4) .253(2)
  H(7) .312(5) -.120(3) .189(2)
  H(8) .0202(6) .044(4) .232(2)
  H(9) .123(5) .151(3) .33620(10)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  N(1) N(2) . . 1.360(3) yes
  N(1) C(3) . . 1.377(3) yes
  N(1) C(7) . . 1.375(3) yes
  N(2) C(1) . . 1.347(3) yes
  C(1) C(2) . . 1.414(3) yes
  C(2) C(3) . . 1.401(4) yes
  C(3) C(4) . . 1.400(4) yes
  C(4) C(5) . . 1.358(4) yes
  C(5) C(6) . . 1.410(4) yes
  C(6) C(7) . . 1.346(4) yes
  C(1) C(8) . . 1.468(4) yes
  C(2) C(14) . . 1.434(4) yes
  C(4) H(1) . . 0.93(2) no
  C(5) H(2) . . 1.03(3) no
  N(3) C(14) . . 1.136(3) no
  C(6) H(3) . . 1.08(3) no
  C(7) H(4) . . 0.99(3) no
  C(8) C(9) . . 1.376(4) no
  C(8) C(13) . . 1.386(4) no
  C(9) C(10) . . 1.384(5) no
  C(9) H(5) . . 0.99(3) no
  C(10) C(11) . . 1.364(5) no
  C(10) H(6) . . 0.88(4) no
  C(11) C(12) . . 1.365(5) no
  C(11) H(7) . . 1.00(3) no
  C(12) C(13) . . 1.390(5) no
  C(12) H(8) . . 1.03(3) no
  C(13) H(9) . . 0.95(3) no