data_2011523
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2000
_journal_volume  56
_journal_page_first  1364
_journal_page_last  1366
_publ_section_title
;
4-Vinylbenzoic acid and 9-vinylanthracene
;
loop_
_publ_author_name
  'Yasuda, Nobuhiro'
  'Uekusa, Hidehiro'
  'Ohashi, Yuji'
_chemical_name_common  '4-vinylbenzoic acid'
_chemical_formula_moiety  'C9 H8 O2'
_chemical_formula_sum  'C9 H8 O2'
_chemical_formula_weight  148.15
_chemical_melting_point  416
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1 'x, y, z'
  2 '-x+1/2, y+1/2, -z+1/2'
  3 '-x, -y, -z'
  4 'x-1/2, -y-1/2, z-1/2'
_cell_length_a  8.3945(9)
_cell_length_b  6.4096(7)
_cell_length_c  13.8798(14)
_cell_angle_alpha  90.00
_cell_angle_beta  103.899(4)
_cell_angle_gamma  90.00
_cell_volume  724.94(13)
_cell_formula_units_Z  4
_cell_measurement_temperature  108(2)
_exptl_crystal_density_diffrn  1.357
_diffrn_ambient_temperature  108(2)
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
  O1  .69007(10)  .51215(12)  .47417(6)  .0283(2) Uani d . 1 . . O
  HO1  .627(4)  .592(5)  .503(2)  .034 Uiso d P  .51(2) . . H
  O2  .50393(9)  .25638(13)  .44913(6)  .0257(2) Uani d . 1 . . O
  HO2  .452(4)  .335(5)  .475(2)  .031 Uiso d P  .49(2) . . H
  C1  .98244(11)  -.06138(15)  .34383(7)  .0194(2) Uani d . 1 . . C
  C2 1.02545(11)  .14209(16)  .37601(7)  .0214(2) Uani d . 1 . . C
  H2 1.1320(16)  .195(2)  .3756(10)  .026 Uiso d . 1 . . H
  C3  .91517(12)  .26869(16)  .40778(7)  .0209(2) Uani d . 1 . . C
  H3  .9440(16)  .409(2)  .4296(10)  .025 Uiso d . 1 . . H
  C4  .75938(11)  .19427(15)  .40953(7)  .0188(2) Uani d . 1 . . C
  C5  .71481(11)  -.00747(15)  .37755(7)  .0201(2) Uani d . 1 . . C
  H5  .6087(16)  -.059(2)  .3796(10)  .024 Uiso d . 1 . . H
  C6  .82498(12)  -.13235(15)  .34379(7)  .0202(2) Uani d . 1 . . C
  H6  .7948(16)  -.273(2)  .3223(10)  .024 Uiso d . 1 . . H
  C7 1.09875(12)  -.20408(16)  .31316(7)  .0226(2) Uani d . 1 . . C
  H7 1.0512(16)  -.329(2)  .2846(10)  .027 Uiso d . 1 . . H
  C8 1.25780(13)  -.17151(18)  .32344(8)  .0261(3) Uani d . 1 . . C
  H8A 1.3130(18)  -.044(2)  .3520(11)  .031 Uiso d . 1 . . H
  H8B 1.3260(18)  -.276(2)  .3040(11)  .031 Uiso d . 1 . . H
  C9  .64314(12)  .32874(15)  .44628(7)  .0198(2) Uani d . 1 . . C
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
  O1  .0320(4)  .0198(4)  .0366(4)  -.0013(3)  .0151(3)  -.0032(3)
  O2  .0192(4)  .0282(4)  .0310(4)  -.0003(3)  .0083(3)  -.0032(3)
  C1  .0184(4)  .0226(5)  .0168(4)  .0003(3)  .0034(3)  -.0001(3)
  C2  .0180(4)  .0248(5)  .0212(5)  -.0038(4)  .0044(3)  -.0023(4)
  C3  .0208(5)  .0212(5)  .0204(5)  -.0036(4)  .0045(3)  -.0023(3)
  C4  .0185(5)  .0202(5)  .0173(4)  .0006(3)  .0032(3)  .0010(3)
  C5  .0169(4)  .0216(5)  .0211(4)  -.0009(3)  .0032(3)  .0013(3)
  C6  .0195(4)  .0191(5)  .0210(4)  -.0015(3)  .0028(3)  -.0004(3)
  C7  .0224(5)  .0238(5)  .0217(5)  .0003(4)  .0054(4)  -.0032(4)
  C8  .0224(5)  .0298(5)  .0270(5)  .0022(4)  .0077(4)  -.0020(4)
  C9  .0203(4)  .0196(5)  .0193(5)  .0003(3)  .0044(3)  .0013(3)
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
  O1 HO1 .  .89(4) yes
  O1 C9 . 1.2703(12) yes
  O2 HO2 .  .80(4) yes
  O2 C9 . 1.2667(12) yes
  C1 C2 . 1.3975(14) yes
  C1 C6 . 1.3978(13) yes
  C1 C7 . 1.4734(14) yes
  C2 H2 .  .958(14) ?
  C2 C3 . 1.3806(14) yes
  C3 H3 .  .961(14) ?
  C3 C4 . 1.3978(13) yes
  C4 C5 . 1.3890(13) yes
  C4 C9 . 1.4813(13) yes
  C5 H5 .  .958(13) ?
  C5 C6 . 1.3869(14) yes
  C6 H6 .  .966(14) ?
  C7 H7 .  .939(15) ?
  C7 C8 . 1.3248(14) yes
  C8 H8B .  .963(15) ?
  C8 H8A .  .975(15) ?