data_2014672 _journal_name_full 'Acta Crystallographica, Section C' _journal_year 2005 _journal_volume 61 _journal_page_first o110 _journal_page_last o111 _publ_section_title ; 1,4-Diphenyl-1,4-di-4-pyridyl-2,3-diaza-1,3-butadiene: weak C---H...N and C---H...\p hydrogen bonds ; loop_ _publ_author_name 'Gao, En-Qing' _chemical_formula_moiety 'C24 H18 N4' _chemical_formula_sum 'C24 H18 N4' _chemical_formula_iupac 'C24 H18 N4' _chemical_formula_weight 362.42 _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P -1' _symmetry_space_group_name_Hall '-P 1' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 6.1251(12) _cell_length_b 7.3258(15) _cell_length_c 10.456(2) _cell_angle_alpha 93.35(3) _cell_angle_beta 91.28(3) _cell_angle_gamma 96.00(3) _cell_volume 465.62(16) _cell_formula_units_Z 1 _cell_measurement_temperature 293(2) _exptl_crystal_density_diffrn 1.293 _diffrn_ambient_temperature 293(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 C1 0.14151(19) 0.29594(16) 0.13918(11) 0.0344(3) Uani d . 1 . . C C2 0.1134(2) 0.21261(19) 0.25500(13) 0.0444(3) Uani d . 1 . . C H2 0.224(3) 0.242(2) 0.3250(16) 0.059(4) Uiso d . 1 . . H C3 -0.0681(3) 0.0872(2) 0.27047(16) 0.0551(4) Uani d . 1 . . C H3 -0.085(3) 0.028(3) 0.3513(19) 0.079(6) Uiso d . 1 . . H C4 -0.2246(3) 0.0470(2) 0.17276(16) 0.0563(4) Uani d . 1 . . C H4 -0.348(3) -0.038(2) 0.1856(17) 0.070(5) Uiso d . 1 . . H C5 -0.1993(2) 0.1312(2) 0.05942(15) 0.0499(4) Uani d . 1 . . C H5 -0.312(3) 0.103(2) -0.0108(17) 0.063(5) Uiso d . 1 . . H C6 -0.0172(2) 0.25409(18) 0.04132(13) 0.0402(3) Uani d . 1 . . C H6 0.005(2) 0.315(2) -0.0395(16) 0.054(4) Uiso d . 1 . . H C7 0.43509(19) 0.54309(16) 0.23360(11) 0.0339(3) Uani d . 1 . . C C8 0.3185(2) 0.6749(2) 0.29159(13) 0.0476(3) Uani d . 1 . . C H8 0.173(3) 0.695(2) 0.2589(15) 0.058(4) Uiso d . 1 . . H C9 0.4109(3) 0.7808(2) 0.39721(14) 0.0570(4) Uani d . 1 . . C H9 0.329(3) 0.878(3) 0.4368(18) 0.080(6) Uiso d . 1 . . H C10 0.7139(2) 0.6298(2) 0.39438(13) 0.0511(4) Uani d . 1 . . C H10 0.859(3) 0.616(2) 0.4341(17) 0.065(5) Uiso d . 1 . . H C11 0.6387(2) 0.5212(2) 0.28614(13) 0.0450(3) Uani d . 1 . . C H11 0.726(3) 0.434(2) 0.2508(15) 0.056(4) Uiso d . 1 . . H C12 0.33808(18) 0.42629(16) 0.11961(11) 0.0328(3) Uani d . 1 . . C N1 0.6060(2) 0.75934(18) 0.44989(11) 0.0547(3) Uani d . 1 . . N N2 0.40933(16) 0.43361(14) 0.00485(9) 0.0375(3) Uani d . 1 . . N 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 C1 0.0346(6) 0.0335(6) 0.0343(6) 0.0020(5) 0.0014(5) -0.0020(5) C2 0.0470(7) 0.0465(7) 0.0386(7) -0.0013(6) 0.0025(6) 0.0042(6) C3 0.0609(9) 0.0494(8) 0.0538(9) -0.0057(7) 0.0116(7) 0.0099(7) C4 0.0481(8) 0.0451(8) 0.0720(10) -0.0118(6) 0.0110(7) -0.0007(7) C5 0.0401(7) 0.0467(8) 0.0596(9) -0.0038(6) -0.0052(6) -0.0079(7) C6 0.0392(7) 0.0392(7) 0.0410(7) 0.0020(5) -0.0032(5) -0.0020(5) C7 0.0358(6) 0.0358(6) 0.0287(6) -0.0028(5) 0.0025(4) 0.0010(4) C8 0.0445(7) 0.0551(8) 0.0421(7) 0.0081(6) -0.0007(6) -0.0093(6) C9 0.0662(10) 0.0565(9) 0.0464(8) 0.0080(7) 0.0024(7) -0.0157(7) C10 0.0478(8) 0.0608(9) 0.0420(7) -0.0024(7) -0.0102(6) -0.0007(6) C11 0.0426(7) 0.0505(8) 0.0412(7) 0.0061(6) -0.0038(5) -0.0040(6) C12 0.0325(6) 0.0350(6) 0.0305(6) 0.0032(5) -0.0004(4) -0.0008(4) N1 0.0647(8) 0.0570(8) 0.0383(6) -0.0064(6) -0.0042(5) -0.0073(5) N2 0.0368(5) 0.0413(6) 0.0324(5) -0.0042(4) 0.0017(4) -0.0017(4) 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 C2 . 1.3938(18) ? C1 C6 . 1.3938(17) ? C1 C12 . 1.4821(17) ? C2 C3 . 1.385(2) ? C2 H2 . 0.986(16) ? C3 C4 . 1.382(2) ? C3 H3 . 0.98(2) ? C4 C5 . 1.372(2) ? C4 H4 . 0.944(18) ? C5 C6 . 1.3818(19) ? C5 H5 . 0.994(17) ? C6 H6 . 0.985(17) ? C7 C11 . 1.3799(18) ? C7 C8 . 1.3803(18) ? C7 C12 . 1.4996(16) ? C8 C9 . 1.386(2) ? C8 H8 . 0.978(16) ? C9 N1 . 1.333(2) ? C9 H9 . 0.994(18) ? C10 N1 . 1.3262(19) ? C10 C11 . 1.3861(19) ? C10 H10 . 0.989(17) ? C11 H11 . 0.939(16) ? C12 N2 . 1.2882(15) ? N2 N2 2_665 1.4074(19) ?