#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2010202.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_2010202
_journal_name_full  'Acta Crystallographica'
_journal_year  1994
_journal_volume  C50
_journal_page_first  1784
_journal_page_last  1786
_publ_section_title
;
Diethyl [(2,3-Diphenylquinoxalin-6-ylamino)methylene]malonate
;
loop_
_publ_author_name
  'Lokaj, J.'
  'Kettmann, V.'
  'Vr\'abel, V.'
  'Ilavsk\'y, D.'
  'Milata, V.'
_chemical_formula_moiety  'C28 H25 N3 O5'
_chemical_formula_sum  'C28 H25 N3 O4'
_chemical_formula_weight  467.5
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'
_cell_length_a  17.714(9)
_cell_length_b  7.571(5)
_cell_length_c  17.974(10)
_cell_angle_alpha  90.
_cell_angle_beta  103.85(6)
_cell_angle_gamma  90.
_cell_volume  2340(2)
_cell_formula_units_Z  4
_cell_measurement_temperature  293
_exptl_crystal_density_diffrn  1.327
_exptl_crystal_density_meas  1.330(10)
_refine_ls_R_factor_obs  0.072
_refine_ls_wR_factor_obs  0.068
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
  N(1) .5465(2) .1990(6) .4560(3)
  C(2) .5855(3) .2136(8) .4033(3)
  C(3) .5574(3) .3366(8) .3384(3)
  N(4) .4891(2) .4177(7) .3340(2)
  C(5) .3764(3) .4744(9) .3788(3)
  C(6) .3412(3) .4479(8) .4340(3)
  C(7) .3724(3) .3527(9) .5025(4)
  C(8) .4440(3) .2750(9) .5086(3)
  C(9) .4791(3) .2945(9) .4543(3)
  C(10) .4482(3) .3894(9) .3873(3)
  C(11) .6481(3) .0964(8) .3995(3)
  C(12) .7036(3) .0755(9) .4720(3)
  C(13) .7651(3) -.0379(9) .4779(4)
  C(14) .7705(3) -.1308(10) .4149(3)
  C(15) .7157(3) -.1190(8) .3470(3)
  C(16) .6553(3) -.0004(9) .3405(3)
  C(17) .6007(3) .3795(8) .2849(3)
  C(18) .5662(3) .4077(9) .2045(3)
  C(19) .6116(3) .4526(9) .1565(3)
  C(20) .6909(3) .4680(9) .1786(4)
  C(21) .7247(3) .4485(9) .2575(3)
  C(22) .6787(3) .4041(9) .3127(4)
  C(231) .2255(7) .5849(14) .3747(9)
  C(232) .2207(6) .5297(19) .4633(8)
  N(5) .2643(3) .5178(8) .4330(4)
  C(24) .1457(4) .6389(11) .4134(4)
  C(25) .1073(4) .7137(11) .3543(4)
  O(1) .1248(3) .7420(12) .2906(3)
  O(2) .0289(2) .7325(7) .3454(3)
  C(26) -.0224(4) .7977(14) .2843(4)
  C(27) -.0975(4) .7691(14) .2762(5)
  C(28) .1297(3) .6279(10) .4857(4)
  O(3) .1618(3) .5455(8) .5431(3)
  O(4) .0668(2) .7201(7) .4961(3)
  C(29) .0449(5) .7103(13) .5744(4)
  C(30) -.0272(5) .7981(12) .5605(4)
  H(C5) .3527 .5669 .3301
  H(C7) .3385 .3440 .5468
  H(C8) .4720 .1984 .5597
  H(C12) .6946 .1503 .5221
  H(C13) .8091 -.0492 .5333
  H(C14) .8210 -.2192 .4210
  H(C15) .7221 -.2006 .2988
  H(C16) .6118 .0099 .2846
  H(C18) .5026 .3889 .1827
  H(C19) .5841 .4784 .0953
  H(C20) .7266 .4953 .1368
  H(C21) .7859 .4678 .2777
  H(C22) .7050 .3896 .3766
  H1(C26) -.0106 .9467 .2845
  H2(C26) -.0065 .7498 .2315
  H1(C27) -.1133 .8346 .3275
  H2(C27) -.1315 .8390 .2247
  H3(C27) -.1088 .6337 .2754
  H1(C29) .0420 .5773 .5945
  H2(C29) .0903 .7830 .6190
  H1(C30) -.0691 .7336 .5165
  H2(C30) -.0492 .8045 .6124
  H3(C30) -.0216 .9362 .5428
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
  N(1) C(2) 1.304(7) yes
  C(2) C(3) 1.482(8) yes
  C(3) N(4) 1.342(7) yes
  N(4) C(10) 1.348(7) yes
  C(10) C(5) 1.400(8) yes
  C(5) C(6) 1.308(8) yes
  C(6) C(7) 1.419(8) yes
  C(7) C(8) 1.380(9) yes
  C(8) C(9) 1.285(8) yes
  C(9) N(1) 1.390(7) yes
  C(9) C(10) 1.397(8) yes
  C(2) C(11) 1.434(7) yes
  C(11) C(12) 1.441(8) no
  C(12) C(13) 1.372(8) no
  C(13) C(14) 1.355(9) no
  C(14) C(15) 1.369(8) no
  C(15) C(16) 1.380(9) no
  C(16) C(11) 1.320(8) no
  C(3) C(17) 1.404(8) yes
  C(17) C(18) 1.444(7) no
  C(18) C(19) 1.356(8) no
  C(19) C(20) 1.370(8) no
  C(20) C(21) 1.409(9) no
  C(21) C(22) 1.466(9) no
  C(22) C(17) 1.365(8) no
  C(6) N(5) 1.457(8) yes
  N(5) C(231) 1.219(16) yes
  N(5) C(232) 1.051(14) yes
  C(231) C(24) 1.767(15) yes
  C(232) C(24) 1.638(15) yes
  C(24) C(25) 1.252(10) no
  C(25) O(1) 1.274(9) no
  C(25) O(2) 1.367(8) no
  O(2) C(26) 1.341(9) no
  C(26) C(27) 1.321(12) no
  C(24) C(28) 1.398(10) no
  C(28) O(3) 1.223(9) no
  C(28) O(4) 1.365(8) no
  O(4) C(29) 1.549(9) no
  C(29) C(30) 1.407(12) no