data_2012054
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2001
_journal_volume  57
_journal_page_first  772
_journal_page_last  774
_publ_section_title
;
Dimorphism of ethyl 1,4-dihydro-2,4,6-triphenylpyridine-3-carboxylate
;
loop_
_publ_author_name
  'Bolte, Michael'
_chemical_formula_moiety  'C26 H23 N O2'
_chemical_formula_sum  'C26 H23 N O2'
_chemical_formula_weight  381.45
_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  7.5083(2)
_cell_length_b  11.6140(3)
_cell_length_c  12.6644(3)
_cell_angle_alpha  93.8620(10)
_cell_angle_beta  98.7590(10)
_cell_angle_gamma  94.5270(10)
_cell_volume  1084.53(5)
_cell_formula_units_Z  2
_cell_measurement_temperature  293
_exptl_crystal_density_diffrn  1.168
_diffrn_ambient_temperature  293
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
  N1  .61677(19)  .39930(13)  .67560(12)  .0509(4) Uani d . 1 . . N
  H1  .7302  .4224  .6885  .061 Uiso calc R 1 . . H
  C2  .4994(2)  .45399(14)  .73286(13)  .0409(4) Uani d . 1 . . C
  C3  .3233(2)  .40740(14)  .72714(13)  .0427(4) Uani d . 1 . . C
  C4  .2561(2)  .29000(15)  .66396(14)  .0472(4) Uani d . 1 . . C
  H4  .1384  .2988  .6212  .057 Uiso calc R 1 . . H
  C5  .3838(2)  .25907(16)  .58692(14)  .0503(4) Uani d . 1 . . C
  H5  .3416  .2043  .5298  .060 Uiso calc R 1 . . H
  C6  .5557(2)  .30705(15)  .59695(14)  .0464(4) Uani d . 1 . . C
  C21  .5803(2)  .56875(14)  .78956(13)  .0407(4) Uani d . 1 . . C
  C22  .6013(3)  .66294(17)  .72779(16)  .0558(5) Uani d . 1 . . C
  H22  .5712  .6528  .6536  .067 Uiso calc R 1 . . H
  C23  .6675(3)  .77210(18)  .7775(2)  .0684(6) Uani d . 1 . . C
  H23  .6790  .8347  .7361  .082 Uiso calc R 1 . . H
  C24  .7160(3)  .78797(18)  .8874(2)  .0661(6) Uani d . 1 . . C
  H24  .7589  .8611  .9200  .079 Uiso calc R 1 . . H
  C25  .7005(3)  .69455(19)  .94912(16)  .0604(5) Uani d . 1 . . C
  H25  .7353  .7048 1.0231  .073 Uiso calc R 1 . . H
  C26  .6326(2)  .58501(16)  .90038(14)  .0482(4) Uani d . 1 . . C
  H26  .6222  .5227  .9421  .058 Uiso calc R 1 . . H
  C31  .1820(2)  .46706(15)  .77272(15)  .0475(4) Uani d . 1 . . C
  O31  .01969(17)  .43771(14)  .74637(13)  .0733(5) Uani d . 1 . . O
  O32  .24286(16)  .55464(12)  .84743(12)  .0604(4) Uani d . 1 . . O
  C33  .1088(3)  .6185(2)  .8921(2)  .0700(6) Uani d . 1 . . C
  H33A  .0248  .5656  .9203  .084 Uiso calc R 1 . . H
  H33B  .0408  .6585  .8367  .084 Uiso calc R 1 . . H
  C34  .2045(4)  .7038(2)  .9793(3)  .0930(9) Uani d . 1 . . C
  H34A  .1177  .7466 1.0096  .140 Uiso calc R 1 . . H
  H34B  .2866  .7562  .9506  .140 Uiso calc R 1 . . H
  H34C  .2709  .6635 1.0339  .140 Uiso calc R 1 . . H
  C41  .2283(3)  .19255(16)  .73806(15)  .0537(5) Uani d . 1 . . C
  C42  .3725(4)  .1390(2)  .78806(18)  .0744(6) Uani d . 1 . . C
  H42  .4898  .1634  .7790  .089 Uiso calc R 1 . . H
  C43  .3420(6)  .0472(3)  .8530(2)  .1054(11) Uani d . 1 . . C
  H43  .4386  .0104  .8861  .127 Uiso calc R 1 . . H
  C44  .1649(7)  .0123(2)  .8666(3)  .1127(13) Uani d . 1 . . C
  H44  .1436  -.0486  .9086  .135 Uiso calc R 1 . . H
  C45  .0245(6)  .0663(3)  .8194(3)  .1054(11) Uani d . 1 . . C
  H45  -.0923  .0435  .8304  .126 Uiso calc R 1 . . H
  C46  .0531(3)  .1550(2)  .7551(2)  .0763(7) Uani d . 1 . . C
  H46  -.0453  .1906  .7224  .092 Uiso calc R 1 . . H
  C61  .6873(2)  .27183(17)  .52594(14)  .0501(4) Uani d . 1 . . C
  C62  .6968(3)  .1548(2)  .49578(19)  .0735(6) Uani d . 1 . . C
  H62  .6245  .0987  .5227  .088 Uiso calc R 1 . . H
  C63  .8136(4)  .1207(2)  .4257(2)  .0938(9) Uani d . 1 . . C
  H63  .8171  .0426  .4056  .113 Uiso calc R 1 . . H
  C64  .9238(4)  .2031(3)  .3864(2)  .0886(8) Uani d . 1 . . C
  H64 1.0018  .1803  .3401  .106 Uiso calc R 1 . . H
  C65  .9179(3)  .3189(2)  .41596(17)  .0727(6) Uani d . 1 . . C
  H65  .9922  .3741  .3894  .087 Uiso calc R 1 . . H
  C66  .8012(3)  .35408(19)  .48547(15)  .0575(5) Uani d . 1 . . C
  H66  .7988  .4325  .5051  .069 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
  N1  .0318(7)  .0595(9)  .0578(9)  -.0026(6)  .0069(6)  -.0137(7)
  C2  .0329(8)  .0443(9)  .0440(9)  .0016(7)  .0032(7)  .0025(7)
  C3  .0346(8)  .0447(9)  .0482(9)  .0005(7)  .0056(7)  .0047(7)
  C4  .0361(9)  .0528(10)  .0494(10)  -.0051(7)  .0023(7)  .0009(8)
  C5  .0485(10)  .0536(10)  .0445(9)  -.0073(8)  .0043(8)  -.0052(8)
  C6  .0442(9)  .0492(10)  .0434(9)  -.0014(7)  .0053(7)  -.0026(7)
  C21  .0277(8)  .0453(9)  .0485(9)  .0012(6)  .0075(7)  -.0008(7)
  C22  .0548(11)  .0554(11)  .0559(11)  -.0014(9)  .0066(9)  .0066(9)
  C23  .0686(13)  .0469(11)  .0895(16)  -.0041(9)  .0153(12)  .0090(11)
  C24  .0550(12)  .0522(12)  .0877(16)  -.0058(9)  .0167(11)  -.0197(11)
  C25  .0459(10)  .0775(14)  .0547(11)  -.0002(9)  .0109(9)  -.0180(10)
  C26  .0387(9)  .0574(11)  .0488(10)  .0023(7)  .0101(7)  .0016(8)
  C31  .0347(9)  .0500(10)  .0579(10)  .0009(7)  .0080(7)  .0069(8)
  O31  .0321(7)  .0855(10)  .0982(11)  -.0025(6)  .0097(7)  -.0135(9)
  O32  .0353(7)  .0631(8)  .0817(9)  .0061(6)  .0132(6)  -.0143(7)
  C33  .0470(11)  .0807(15)  .0856(15)  .0173(10)  .0212(11)  -.0077(12)
  C34  .0763(16)  .0746(16)  .125(2)  .0246(13)  .0133(15)  -.0283(15)
  C41  .0658(12)  .0431(10)  .0503(10)  -.0060(9)  .0132(9)  -.0067(8)
  C42  .1002(18)  .0671(14)  .0591(13)  .0189(13)  .0157(12)  .0078(11)
  C43  .177(3)  .0748(18)  .0718(17)  .043(2)  .0237(19)  .0114(14)
  C44  .210(4)  .0534(15)  .084(2)  -.007(2)  .063(2)  .0066(14)
  C45  .149(3)  .0641(17)  .106(2)  -.0335(18)  .055(2)  .0029(16)
  C46  .0807(15)  .0646(14)  .0821(16)  -.0237(11)  .0275(13)  -.0025(12)
  C61  .0467(10)  .0588(11)  .0423(9)  -.0014(8)  .0065(8)  -.0062(8)
  C62  .0780(15)  .0637(13)  .0785(15)  -.0060(11)  .0269(12)  -.0148(11)
  C63  .102(2)  .0826(18)  .0974(19)  .0040(15)  .0378(16)  -.0349(15)
  C64  .0774(16)  .117(2)  .0708(15)  -.0010(15)  .0312(13)  -.0280(15)
  C65  .0607(13)  .1041(19)  .0523(12)  -.0090(12)  .0167(10)  .0001(12)
  C66  .0521(11)  .0664(12)  .0517(11)  -.0023(9)  .0073(8)  -.0010(9)
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
  N1 C2 . 1.388(2) y
  N1 C6 . 1.411(2) y
  N1 H1 .  .8600 ?
  C2 C3 . 1.378(2) y
  C2 C21 . 1.507(2) ?
  C3 C31 . 1.479(2) ?
  C3 C4 . 1.541(2) y
  C4 C5 . 1.514(3) y
  C4 C41 . 1.540(3) ?
  C4 H4 .  .9800 ?
  C5 C6 . 1.349(2) y
  C5 H5 .  .9300 ?
  C6 C61 . 1.496(2) ?
  C21 C26 . 1.394(2) ?
  C21 C22 . 1.400(2) ?
  C22 C23 . 1.396(3) ?
  C22 H22 .  .9300 ?
  C23 C24 . 1.381(3) ?
  C23 H23 .  .9300 ?
  C24 C25 . 1.387(3) ?
  C24 H24 .  .9300 ?
  C25 C26 . 1.398(3) ?
  C25 H25 .  .9300 ?
  C26 H26 .  .9300 ?
  C31 O31 . 1.228(2) ?
  C31 O32 . 1.343(2) ?
  O32 C33 . 1.455(2) ?
  C33 C34 . 1.488(3) ?
  C33 H33A .  .9700 ?
  C33 H33B .  .9700 ?
  C34 H34A .  .9600 ?
  C34 H34B .  .9600 ?
  C34 H34C .  .9600 ?
  C41 C42 . 1.382(3) ?
  C41 C46 . 1.406(3) ?
  C42 C43 . 1.415(4) ?
  C42 H42 .  .9300 ?
  C43 C44 . 1.399(5) ?
  C43 H43 .  .9300 ?
  C44 C45 . 1.351(5) ?
  C44 H44 .  .9300 ?
  C45 C46 . 1.380(4) ?
  C45 H45 .  .9300 ?
  C46 H46 .  .9300 ?
  C61 C62 . 1.397(3) ?
  C61 C66 . 1.406(3) ?
  C62 C63 . 1.398(3) ?
  C62 H62 .  .9300 ?
  C63 C64 . 1.383(4) ?
  C63 H63 .  .9300 ?
  C64 C65 . 1.377(4) ?
  C64 H64 .  .9300 ?
  C65 C66 . 1.397(3) ?
  C65 H65 .  .9300 ?
  C66 H66 .  .9300 ?