#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2007370.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_2007370
_journal_name_full  'Acta Crystallographica'
_journal_year  1998
_journal_volume  C54
_publ_section_title
;
2-Benzoyl-3-hydroxy-1-naphthylamino-3-phenyl-2-propen-1-one
;
loop_
_publ_author_name
  'Sema \"Ozt\"urk'
  'Hoong-Kun Fun'
  'Mehmet Akkurt'
  'Mehmet S\"onmez'
  'Kandasamy Chinnakali'
_chemical_formula_sum  'C26 H19 N O3'
_chemical_formula_weight  393.42
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x-1/2, -y-1/2, z-1/2'
_cell_length_a  9.9862(5)
_cell_length_b  12.3722(5)
_cell_length_c  16.0829(7)
_cell_angle_alpha  90.00
_cell_angle_beta  92.777(2)
_cell_angle_gamma  90.00
_cell_volume  1984.7(2)
_cell_formula_units_Z  4
_cell_measurement_temperature  173(2)
_exptl_crystal_density_diffrn  1.317
_diffrn_ambient_temperature  173(2)
_refine_ls_R_factor_obs  .0667
_refine_ls_wR_factor_obs  .1192
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
  N1  .7101(3)  .9182(2)  -.0231(2)  .0235(8) Uani d . 1 . N
  O1  .9180(3)  .8860(2)  .0331(2)  .0308(7) Uani d . 1 . O
  O2  .5939(3) 1.0995(2)  .0226(2)  .0349(7) Uani d . 1 . O
  O3 1.0069(3)  .9902(2)  .1502(2)  .0341(7) Uani d . 1 . O
  C1  .7040(3)  .8297(3)  -.0796(2)  .0221(9) Uani d . 1 . C
  C2  .7463(4)  .7287(3)  -.0555(3)  .0277(10) Uani d . 1 . C
  C3  .7337(4)  .6418(3)  -.1121(3)  .0310(10) Uani d . 1 . C
  C4  .6827(4)  .6572(3)  -.1916(2)  .0298(10) Uani d . 1 . C
  C5  .5930(4)  .7805(3)  -.3010(2)  .0315(10) Uani d . 1 . C
  C6  .5548(4)  .8810(3)  -.3261(3)  .0337(11) Uani d . 1 . C
  C7  .5587(4)  .9679(3)  -.2693(2)  .0342(11) Uani d . 1 . C
  C8  .6052(4)  .9520(3)  -.1887(2)  .0269(10) Uani d . 1 . C
  C9  .6489(4)  .8492(3)  -.1612(2)  .0231(9) Uani d . 1 . C
  C10  .6418(4)  .7611(3)  -.2175(2)  .0260(9) Uani d . 1 . C
  C11  .8139(4)  .9453(3)  .0279(2)  .0230(9) Uani d . 1 . C
  C12  .8073(4) 1.0450(3)  .0785(2)  .0209(9) Uani d . 1 . C
  C13  .7042(4) 1.1261(3)  .0549(2)  .0242(9) Uani d . 1 . C
  C14  .7355(4) 1.2440(3)  .0624(2)  .0237(9) Uani d . 1 . C
  C15  .8639(4) 1.2849(3)  .0548(2)  .0255(9) Uani d . 1 . C
  C16  .8854(4) 1.3962(3)  .0603(2)  .0302(10) Uani d . 1 . C
  C17  .7799(4) 1.4649(3)  .0745(3)  .0361(11) Uani d . 1 . C
  C18  .6514(5) 1.4249(3)  .0819(3)  .0413(12) Uani d . 1 . C
  C19  .6290(4) 1.3149(3)  .0740(3)  .0328(10) Uani d . 1 . C
  C20  .9038(4) 1.0563(3)  .1434(2)  .0248(9) Uani d . 1 . C
  C21  .9003(4) 1.1340(3)  .2126(2)  .0252(9) Uani d . 1 . C
  C22 1.0220(4) 1.1662(3)  .2516(2)  .0325(10) Uani d . 1 . C
  C23 1.0254(5) 1.2374(4)  .3179(3)  .0431(12) Uani d . 1 . C
  C24  .9074(5) 1.2750(4)  .3478(3)  .0469(13) Uani d . 1 . C
  C25  .7856(5) 1.2425(4)  .3109(3)  .0396(11) Uani d . 1 . C
  C26  .7808(4) 1.1710(3)  .2446(2)  .0299(10) Uani d . 1 . C
  H2  .779(4)  .716(3)  -.002(2)  .031(11) Uiso d . 1 . H
  H3  .762(3)  .573(3)  -.090(2)  .029(10) Uiso d . 1 . H
  H4  .673(3)  .598(3)  -.231(2)  .020(9) Uiso d . 1 . H
  H5  .592(3)  .717(3)  -.339(2)  .028(10) Uiso d . 1 . H
  H6  .518(4)  .899(3)  -.385(2)  .042(11) Uiso d . 1 . H
  H7  .529(3)  1.039(3)  -.289(2)  .026(10) Uiso d . 1 . H
  H8  .607(3)  1.014(3)  -.1493(19)  .022(9) Uiso d . 1 . H
  H1N  .636(4)  .961(3)  -.021(2)  .040(12) Uiso d . 1 . H
  H3O  .986(5)  .932(4)  .098(3)  .089(17) Uiso d . 1 . H
  H15  .943(4)  1.234(3)  .046(2)  .043(11) Uiso d . 1 . H
  H16  .984(4)  1.424(3)  .057(2)  .042(11) Uiso d . 1 . H
  H17  .802(4)  1.545(3)  .082(2)  .052(12) Uiso d . 1 . H
  H18  .579(4)  1.472(3)  .089(2)  .047(12) Uiso d . 1 . H
  H19  .539(4)  1.287(3)  .081(2)  .045(12) Uiso d . 1 . H
  H22 1.100(3)  1.142(3)  .230(2)  .022(10) Uiso d . 1 . H
  H23 1.113(4)  1.257(3)  .347(3)  .058(14) Uiso d . 1 . H
  H24  .908(4)  1.326(3)  .394(3)  .054(13) Uiso d . 1 . H
  H25  .696(4)  1.266(3)  .333(2)  .053(13) Uiso d . 1 . H
  H26  .699(4)  1.144(3)  .220(2)  .033(11) 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  .024(2)  .019(2)  .027(2)  .0025(15)  .000(2)  -.0050(14)
  O1  .027(2)  .030(2)  .035(2)  .0054(13)  -.0016(13)  -.0091(13)
  O2  .021(2)  .030(2)  .052(2)  .0023(12)  -.0051(14)  -.0104(13)
  O3  .034(2)  .029(2)  .038(2)  .0096(14)  -.0107(14)  -.0061(14)
  C1  .017(2)  .021(2)  .028(2)  -.001(2)  .001(2)  -.001(2)
  C2  .029(2)  .028(2)  .026(2)  .001(2)  -.002(2)  .000(2)
  C3  .030(3)  .024(2)  .039(3)  .008(2)  .002(2)  .000(2)
  C4  .031(3)  .026(2)  .032(2)  .001(2)  .001(2)  -.006(2)
  C5  .030(3)  .034(3)  .031(3)  -.003(2)  .000(2)  -.009(2)
  C6  .037(3)  .041(3)  .023(2)  -.004(2)  -.001(2)  -.001(2)
  C7  .042(3)  .031(3)  .030(3)  -.002(2)  .001(2)  .010(2)
  C8  .029(2)  .027(2)  .025(2)  -.004(2)  .007(2)  -.004(2)
  C9  .020(2)  .022(2)  .028(2)  -.001(2)  .004(2)  -.002(2)
  C10  .021(2)  .033(2)  .025(2)  -.003(2)  .003(2)  -.004(2)
  C11  .022(2)  .025(2)  .022(2)  .001(2)  .005(2)  .006(2)
  C12  .024(2)  .018(2)  .021(2)  .000(2)  .004(2)  -.001(2)
  C13  .028(2)  .024(2)  .021(2)  .000(2)  .003(2)  -.002(2)
  C14  .026(2)  .021(2)  .024(2)  .004(2)  .003(2)  -.003(2)
  C15  .029(2)  .028(2)  .020(2)  .001(2)  .006(2)  .000(2)
  C16  .033(3)  .025(2)  .033(2)  -.005(2)  .004(2)  .002(2)
  C17  .045(3)  .020(2)  .043(3)  -.002(2)  -.001(2)  .002(2)
  C18  .043(3)  .024(2)  .057(3)  .010(2)  .004(2)  -.001(2)
  C19  .024(2)  .029(2)  .046(3)  .001(2)  .006(2)  -.005(2)
  C20  .026(2)  .021(2)  .027(2)  .000(2)  .004(2)  .004(2)
  C21  .029(2)  .025(2)  .022(2)  -.005(2)  .004(2)  -.002(2)
  C22  .025(3)  .041(3)  .033(2)  -.002(2)  .006(2)  -.009(2)
  C23  .037(3)  .056(3)  .037(3)  -.012(2)  .004(2)  -.019(2)
  C24  .046(3)  .059(3)  .037(3)  -.010(3)  .012(2)  -.023(2)
  C25  .033(3)  .051(3)  .035(3)  -.003(2)  .010(2)  -.011(2)
  C26  .027(3)  .041(3)  .023(2)  -.008(2)  .007(2)  -.003(2)
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 C11 . 1.334(4) yes
  N1 C1 . 1.422(4) yes
  O1 C11 . 1.271(4) yes
  O2 C13 . 1.239(4) yes
  O3 C20 . 1.316(4) yes
  C1 C2 . 1.369(5) ?
  C1 C9 . 1.419(5) ?
  C2 C3 . 1.410(5) ?
  C3 C4 . 1.367(5) ?
  C4 C10 . 1.406(5) ?
  C5 C6 . 1.357(5) ?
  C5 C10 . 1.425(5) ?
  C6 C7 . 1.411(6) ?
  C7 C8 . 1.369(5) ?
  C8 C9 . 1.409(5) ?
  C9 C10 . 1.418(5) ?
  C11 C12 . 1.482(5) yes
  C12 C20 . 1.392(5) yes
  C12 C13 . 1.474(5) yes
  C13 C14 . 1.495(5) yes
  C14 C15 . 1.389(5) ?
  C14 C19 . 1.398(5) ?
  C15 C16 . 1.396(5) ?
  C16 C17 . 1.381(5) ?
  C17 C18 . 1.386(6) ?
  C18 C19 . 1.384(5) ?
  C20 C21 . 1.473(5) yes
  C21 C22 . 1.398(5) ?
  C21 C26 . 1.399(5) ?
  C22 C23 . 1.383(5) ?
  C23 C24 . 1.375(6) ?
  C24 C25 . 1.387(6) ?
  C25 C26 . 1.384(5) ?