#------------------------------------------------------------------------------ #$Date: 2011-09-10 04:16:28 +0100 (Sat, 10 Sep 2011) $ #$Revision: 25271 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000276.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2000276 loop_ _publ_author_name 'Wo\'zniak, K.' _publ_section_title ; Structure of 2,3-di(2-pyridyl)-6,7-dimethylquinoxaline ; _journal_issue 8 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 1761 _journal_page_last 1763 _journal_volume 47 _journal_year 1991 _chemical_formula_sum 'C20 H16 N4' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90 _cell_angle_beta 99.240(10) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 16.4740(10) _cell_length_b 13.1320(10) _cell_length_c 7.6380(10) _cell_volume 1630.9(3) _diffrn_radiation_type Cu _diffrn_radiation_wavelength 1.54178 _exptl_absorpt_coefficient_mu 0.5782 _exptl_crystal_density_diffrn 1.27 _exptl_crystal_F_000 656 _[local]_cod_data_source_file ab0171.cif _[local]_cod_data_source_block ab0171a _[local]_cod_cif_authors_sg_H-M C2/c _[local]_cod_chemical_formula_sum_orig C20H16N4 _cod_database_code 2000276 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv N1 .41730(10) .37310(10) .1691(2) .0476(5) N2 .44560(10) .11700(10) .0815(2) .0485(6) C1 .45760(10) .28700(10) .2078(2) .0433(5) C2 .45890(10) .46250(10) .2096(2) .0456(6) C3 .41840(10) .55660(10) .1674(2) .0499(7) C4 .45820(10) .64750(10) .2078(2) .0506(6) C5 .40830(10) .19350(10) .1538(2) .0445(6) C6 .39940(10) .03590(10) .0258(2) .0577(7) C7 .31790(10) .02670(10) .0385(2) .0620(7) C8 .27910(10) .10620(10) .1108(2) .0603(7) C9 .32550(10) .19100(10) .1697(2) .0515(6) C10 .41280(10) .74610(10) .1625(2) .0631(7) HO1 .361(2) .731(2) .093(3) .089(6) HO2 .4070(10) .7860(10) .265(3) .079(6) HO3 .446(2) .794(2) .107(4) .116(8) H3 .3590(10) .5580(10) .106(3) .070(5) H6 .4280(10) -.019(2) -.023(3) .072(5) H7 .2890(10) -.0410(10) .001(3) .076(6) H8 .2250(10) .1050(10) .126(3) .069(5) H9 .3060(10) .2520(10) .224(2) .060(4)