data_2100233
_journal_name_full  'Acta Crystallographica, Section B'
_journal_year  2005
_journal_volume  61
_journal_page_first  46
_journal_page_last  57
_chemical_name_common  'quinol:2(4,4'-bipyridine)'
_chemical_formula_moiety  '2(C10H8N2)(C6H6O2)'
_chemical_formula_sum  'C26 H22 N4 O2'
_chemical_formula_weight  422.49
_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  7.820(4)
_cell_length_b  8.619(4)
_cell_length_c  9.201(4)
_cell_angle_alpha  111.897(7)
_cell_angle_beta  109.851(7)
_cell_angle_gamma  94.657(8)
_cell_volume  525.7(4)
_cell_formula_units_Z  1
_cell_measurement_temperature  150(2)
_exptl_crystal_density_diffrn  1.335
_diffrn_ambient_temperature  150(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_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  O1A 0.39246(15) 0.29172(13) 0.97975(14) 0.0289(3) Uani d . 1 . . O
  H1A 0.267(3) 0.272(3) 0.928(3) 0.051(6) Uiso d . 1 . . H
  C1A 0.44173(19) 0.14592(18) 0.98779(18) 0.0218(3) Uani d . 1 . . C
  C2A 0.31417(19) -0.01306(18) 0.90679(17) 0.0223(3) Uani d . 1 . . C
  H2A 0.1865 -0.0227 0.8425 0.027 Uiso calc R 1 . . H
  C3A 0.37157(19) -0.15719(18) 0.91898(18) 0.0226(3) Uani d . 1 . . C
  H3A 0.2829 -0.2647 0.8633 0.027 Uiso calc R 1 . . H
  N1S 0.01390(17) 0.24543(17) 0.81825(18) 0.0292(3) Uani d . 1 . . N
  C2S -0.0475(2) 0.1999(2) 0.6504(2) 0.0304(4) Uani d . 1 . . C
  H2S 0.0343 0.1614 0.5955 0.036 Uiso calc R 1 . . H
  C3S -0.2233(2) 0.2057(2) 0.5520(2) 0.0282(3) Uani d . 1 . . C
  H3S -0.2608 0.1710 0.4327 0.034 Uiso calc R 1 . . H
  C4S -0.34486(19) 0.26309(18) 0.63051(19) 0.0223(3) Uani d . 1 . . C
  C5S -0.2830(2) 0.30806(19) 0.80472(19) 0.0253(3) Uani d . 1 . . C
  H5S -0.3620 0.3460 0.8629 0.030 Uiso calc R 1 . . H
  C6S -0.1046(2) 0.2968(2) 0.8925(2) 0.0276(3) Uani d . 1 . . C
  H6S -0.0645 0.3271 1.0113 0.033 Uiso calc R 1 . . H
  N7S -0.87985(18) 0.32257(18) 0.34555(17) 0.0319(3) Uani d . 1 . . N
  C8S -0.7857(2) 0.4193(2) 0.5134(2) 0.0295(4) Uani d . 1 . . C
  H8S -0.8402 0.5043 0.5695 0.035 Uiso calc R 1 . . H
  C9S -0.6146(2) 0.40417(19) 0.6110(2) 0.0258(3) Uani d . 1 . . C
  H9S -0.5546 0.4768 0.7300 0.031 Uiso calc R 1 . . H
  C10S -0.53146(19) 0.28020(18) 0.53159(18) 0.0220(3) Uani d . 1 . . C
  C11S -0.6276(2) 0.17840(19) 0.35718(19) 0.0265(3) Uani d . 1 . . C
  H11S -0.5770 0.0920 0.2975 0.032 Uiso calc R 1 . . H
  C12S -0.7979(2) 0.2046(2) 0.2717(2) 0.0308(4) Uani d . 1 . . C
  H12S -0.8610 0.1341 0.1525 0.037 Uiso calc R 1 . . H
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
  O1A 0.0203(6) 0.0278(6) 0.0358(6) 0.0086(4) 0.0068(5) 0.0140(5)
  C1A 0.0200(7) 0.0269(7) 0.0207(7) 0.0098(5) 0.0090(6) 0.0107(6)
  C2A 0.0151(6) 0.0305(8) 0.0199(7) 0.0072(5) 0.0061(5) 0.0098(6)
  C3A 0.0171(7) 0.0254(7) 0.0205(7) 0.0031(5) 0.0056(5) 0.0069(5)
  N1S 0.0211(6) 0.0301(7) 0.0368(8) 0.0107(5) 0.0088(6) 0.0162(6)
  C2S 0.0246(8) 0.0338(8) 0.0374(9) 0.0142(6) 0.0155(7) 0.0158(7)
  C3S 0.0266(8) 0.0324(8) 0.0267(8) 0.0110(6) 0.0112(6) 0.0127(6)
  C4S 0.0194(7) 0.0212(7) 0.0272(8) 0.0067(5) 0.0079(6) 0.0123(6)
  C5S 0.0232(7) 0.0277(7) 0.0281(8) 0.0094(6) 0.0114(6) 0.0134(6)
  C6S 0.0243(7) 0.0314(8) 0.0287(8) 0.0102(6) 0.0081(6) 0.0160(6)
  N7S 0.0206(6) 0.0366(8) 0.0320(8) 0.0071(5) 0.0044(6) 0.0135(6)
  C8S 0.0221(7) 0.0304(8) 0.0324(8) 0.0106(6) 0.0077(6) 0.0116(7)
  C9S 0.0211(7) 0.0266(7) 0.0252(7) 0.0063(6) 0.0062(6) 0.0092(6)
  C10S 0.0174(7) 0.0245(7) 0.0261(8) 0.0055(5) 0.0077(6) 0.0137(6)
  C11S 0.0233(7) 0.0270(7) 0.0275(8) 0.0070(6) 0.0092(6) 0.0106(6)
  C12S 0.0218(7) 0.0356(8) 0.0260(8) 0.0036(6) 0.0040(6) 0.0097(6)
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
  O1A C1A . 1.3644(18) ?
  O1A H1A . 0.90(2) ?
  C1A C2A . 1.393(2) ?
  C1A C3A 2_657 1.393(2) ?
  C2A C3A . 1.385(2) ?
  C2A H2A . 0.9500 ?
  C3A C1A 2_657 1.393(2) ?
  C3A H3A . 0.9500 ?
  N1S C2S . 1.335(2) ?
  N1S C6S . 1.339(2) ?
  C2S C3S . 1.383(2) ?
  C2S H2S . 0.9500 ?
  C3S C4S . 1.395(2) ?
  C3S H3S . 0.9500 ?
  C4S C5S . 1.390(2) ?
  C4S C10S . 1.487(2) ?
  C5S C6S . 1.387(2) ?
  C5S H5S . 0.9500 ?
  C6S H6S . 0.9500 ?
  N7S C8S . 1.338(2) ?
  N7S C12S . 1.339(2) ?
  C8S C9S . 1.384(2) ?
  C8S H8S . 0.9500 ?
  C9S C10S . 1.397(2) ?
  C9S H9S . 0.9500 ?
  C10S C11S . 1.391(2) ?
  C11S C12S . 1.383(2) ?
  C11S H11S . 0.9500 ?
  C12S H12S . 0.9500 ?