#------------------------------------------------------------------------------
#$Date: 2011-01-02 20:00:31 +0000 (Sun, 02 Jan 2011) $
#$Revision: 5310 $
#$URL: svn://www.crystallography.net/cod/cif/2/2200890.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_2200890
loop_
_publ_author_name
'Ayg\"un, Muhittin'
'\"Ozt\"urk, Sema'
'Aydo\~gan, Feray'
_publ_section_title
;
4,6-Dimethyl-2-(2,4-dimethylphenyliminomethyl)quinoline
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              o158
_journal_page_last               o159
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          'C20 H20 N2'
_chemical_formula_moiety         'C20 H20 N2'
_chemical_formula_sum            'C20 H20 N2'
_chemical_formula_weight         288.38
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                84.559(2)
_cell_angle_beta                 84.522(2)
_cell_angle_gamma                68.944(2)
_cell_formula_units_Z            2
_cell_length_a                   7.4939(6)
_cell_length_b                   9.6449(8)
_cell_length_c                   12.1632(9)
_cell_measurement_temperature    293(2)
_cell_volume                     814.95(11)
_diffrn_ambient_temperature      294(2)
_exptl_crystal_density_diffrn    1.175
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2200890
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 .7090(3) .1756(2) .25376(15) .0533(5) Uani d . 1 . . N
N2 .7675(3) .5216(2) .20649(15) .0550(5) Uani d . 1 . . N
C1 .7143(3) .3018(3) .28407(18) .0497(5) Uani d . 1 . . C
C2 .7217(3) .3300(3) .39523(18) .0496(5) Uani d . 1 . . C
C3 .7306(3) .2230(3) .47835(18) .0493(5) Uani d . 1 . . C
C4 .7350(3) .0816(2) .44846(17) .0458(5) Uani d . 1 . . C
C5 .7537(3) -.0413(3) .5249(2) .0533(6) Uani d . 1 . . C
C6 .7571(3) -.1752(3) .4936(2) .0566(6) Uani d . 1 . . C
C7 .7408(4) -.1890(3) .3809(2) .0607(7) Uani d . 1 . . C
C8 .7225(4) -.0733(3) .3042(2) .0583(6) Uani d . 1 . . C
C9 .7217(3) .0642(2) .33519(18) .0478(5) Uani d . 1 . . C
C10 .7369(4) .2512(3) .59708(19) .0618(7) Uani d . 1 . . C
H10A .7358 .3504 .6013 .093 Uiso calc R 1 . . H
H10B .8517 .1809 .6265 .093 Uiso calc R 1 . . H
H10C .6271 .2405 .6393 .093 Uiso calc R 1 . . H
C11 .7802(4) -.3062(3) .5773(2) .0735(8) Uani d . 1 . . C
H11A .7752 -.2746 .6504 .110 Uiso calc R 1 . . H
H11B .9014 -.3833 .5620 .110 Uiso calc R 1 . . H
H11C .6787 -.3435 .5725 .110 Uiso calc R 1 . . H
C12 .7170(3) .4135(3) .19309(19) .0535(6) Uani d . 1 . . C
C13 .7711(4) .6248(3) .11542(18) .0529(6) Uani d . 1 . . C
C14 .6163(4) .6895(3) .0497(2) .0660(7) Uani d . 1 . . C
C15 .6192(5) .7954(3) -.0348(2) .0730(8) Uani d . 1 . . C
C16 .7759(4) .8393(3) -.0558(2) .0649(7) Uani d . 1 . . C
C17 .9302(4) .7736(3) .0097(2) .0609(7) Uani d . 1 . . C
C18 .9312(4) .6672(3) .09544(18) .0532(6) Uani d . 1 . . C
C19 1.1028(4) .5964(3) .1631(2) .0740(8) Uani d . 1 . . C
H19A 1.1733 .4979 .1401 .111 Uiso calc R 1 . . H
H19B 1.0611 .5909 .2399 .111 Uiso calc R 1 . . H
H19C 1.1835 .6552 .1524 .111 Uiso calc R 1 . . H
C20 .7820(5) .9555(4) -.1475(3) .0958(11) Uani d . 1 . . C
H20A .6608 .9952 -.1802 .144 Uiso calc R 1 . . H
H20B .8812 .9107 -.2028 .144 Uiso calc R 1 . . H
H20C .8080 1.0344 -.1175 .144 Uiso calc R 1 . . H
H2 .718(3) .426(3) .4115(17) .054(6) Uiso d . 1 . . H
H5 .767(3) -.032(2) .6013(19) .051(6) Uiso d . 1 . . H
H7 .741(4) -.279(3) .360(2) .073(8) Uiso d . 1 . . H
H8 .716(4) -.083(3) .223(2) .065(7) Uiso d . 1 . . H
H12 .684(3) .394(3) .118(2) .061(7) Uiso d . 1 . . H
H15 .501(4) .663(3) .067(2) .069(7) Uiso d . 1 . . H
H16 .504(5) .838(3) -.081(2) .095(10) Uiso d . 1 . . H
H18 1.044(4) .802(3) -.003(2) .078(8) Uiso d . 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 .0576(12) .0546(12) .0529(11) -.0256(10) -.0008(9) -.0084(9)
N2 .0658(13) .0530(12) .0504(11) -.0270(10) -.0014(9) -.0022(9)
C1 .0483(13) .0528(13) .0521(13) -.0227(11) -.0008(10) -.0057(10)
C2 .0565(14) .0464(13) .0527(13) -.0256(11) -.0023(10) -.0071(10)
C3 .0448(13) .0556(14) .0530(13) -.0233(11) -.0038(10) -.0076(11)
C4 .0401(12) .0476(12) .0524(12) -.0188(10) -.0008(9) -.0047(10)
C5 .0475(13) .0565(14) .0578(14) -.0215(11) -.0037(11) -.0007(11)
C6 .0437(13) .0509(14) .0763(16) -.0197(11) -.0002(11) -.0015(12)
C7 .0548(15) .0481(14) .0839(18) -.0227(12) .0018(12) -.0152(13)
C8 .0580(15) .0565(15) .0660(16) -.0251(12) .0002(12) -.0152(12)
C9 .0438(12) .0500(13) .0536(12) -.0209(11) -.0019(9) -.0071(10)
C10 .0761(17) .0659(16) .0529(14) -.0347(14) -.0067(12) -.0080(12)
C11 .0629(17) .0545(16) .101(2) -.0221(14) -.0043(15) .0090(15)
C12 .0572(14) .0562(14) .0495(13) -.0228(12) -.0029(11) -.0046(11)
C13 .0652(15) .0524(14) .0450(12) -.0261(12) .0022(11) -.0066(10)
C14 .0662(18) .0701(18) .0663(16) -.0310(15) -.0067(13) .0029(13)
C15 .078(2) .0729(19) .0627(16) -.0213(16) -.0099(14) .0072(14)
C16 .0807(19) .0568(15) .0499(13) -.0197(14) .0103(13) -.0010(11)
C17 .0704(17) .0611(16) .0542(14) -.0294(14) .0116(12) -.0083(12)
C18 .0634(15) .0522(13) .0460(12) -.0228(12) .0033(10) -.0095(10)
C19 .0692(18) .087(2) .0704(17) -.0342(16) -.0084(14) .0031(15)
C20 .113(3) .087(2) .074(2) -.028(2) .0066(18) .0216(17)
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 C1 . 1.320(3) yes
N1 C9 . 1.373(3) yes
N2 C12 . 1.259(3) yes
N2 C13 . 1.423(3) yes
C1 C2 . 1.414(3) ?
C1 C12 . 1.473(3) yes
C2 C3 . 1.363(3) ?
C2 H2 . .95(2) ?
C3 C4 . 1.432(3) ?
C3 C10 . 1.503(3) yes
C4 C5 . 1.409(3) ?
C4 C9 . 1.421(3) yes
C5 C6 . 1.372(3) ?
C5 H5 . .96(2) ?
C6 C7 . 1.410(4) ?
C6 C11 . 1.515(3) yes
C7 C8 . 1.361(4) ?
C7 H7 . .93(3) ?
C8 C9 . 1.410(3) ?
C8 H8 . 1.01(2) ?
C10 H10A . .9600 ?
C10 H10B . .9600 ?
C10 H10C . .9600 ?
C11 H11A . .9600 ?
C11 H11B . .9600 ?
C11 H11C . .9600 ?
C12 H12 . 1.03(2) ?
C13 C14 . 1.392(3) ?
C13 C18 . 1.394(3) ?
C14 C15 . 1.383(4) ?
C14 H15 . .99(3) ?
C15 C16 . 1.380(4) ?
C15 H16 . 1.01(3) ?
C16 C17 . 1.387(4) ?
C16 C20 . 1.514(3) yes
C17 C18 . 1.391(3) ?
C17 H18 . .98(3) ?
C18 C19 . 1.504(3) yes
C19 H19A . .9600 ?
C19 H19B . .9600 ?
C19 H19C . .9600 ?
C20 H20A . .9600 ?
C20 H20B . .9600 ?
C20 H20C . .9600 ?