data_2011524
_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  8.2876(16)
_cell_length_b  6.5504(12)
_cell_length_c  14.247(2)
_cell_angle_alpha  90.00
_cell_angle_beta  102.651(8)
_cell_angle_gamma  90.00
_cell_volume  754.7(2)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.304
_diffrn_ambient_temperature  293(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  .68953(16)  .50975(19)  .47359(11)  .0823(4) Uani d . 1 . . O
  HO1  .636(7)  .576(8)  .507(3)  .099 Uiso d P  .53(4) . . H
  O2  .50421(13)  .26183(19)  .44964(9)  .0748(4) Uani d . 1 . . O
  HO2  .443(7)  .346(8)  .474(3)  .090 Uiso d P  .47(4) . . H
  C1  .98094(16)  -.0523(2)  .34578(10)  .0592(4) Uani d . 1 . . C
  C2 1.02382(18)  .1451(3)  .37687(11)  .0668(4) Uani d . 1 . . C
  H2 1.128(2)  .196(3)  .3759(13)  .080 Uiso d . 1 . . H
  C3  .91465(19)  .2704(3)  .40793(11)  .0652(4) Uani d . 1 . . C
  H3  .945(2)  .404(3)  .4317(13)  .078 Uiso d . 1 . . H
  C4  .75887(16)  .1997(2)  .41002(9)  .0565(4) Uani d . 1 . . C
  C5  .71478(17)  .0041(2)  .37877(11)  .0615(4) Uani d . 1 . . C
  H5  .607(2)  -.045(3)  .3777(12)  .074 Uiso d . 1 . . H
  C6  .82395(18)  -.1187(2)  .34586(11)  .0633(4) Uani d . 1 . . C
  H6  .794(2)  -.256(3)  .3244(12)  .076 Uiso d . 1 . . H
  C7 1.0970(2)  -.1924(3)  .31540(12)  .0726(5) Uani d . 1 . . C
  H7 1.053(2)  -.321(3)  .2899(14)  .087 Uiso d . 1 . . H
  C8 1.2534(2)  -.1638(4)  .32423(15)  .0854(6) Uani d . 1 . . C
  H8A 1.309(3)  -.033(3)  .3567(16)  .103 Uiso d . 1 . . H
  H8B 1.312(3)  -.273(3)  .3020(16)  .103 Uiso d . 1 . . H
  C9  .64365(17)  .3318(2)  .44629(10)  .0599(4) 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  .0794(8)  .0614(7)  .1171(10)  -.0111(6)  .0456(7)  -.0109(6)
  O2  .0557(6)  .0739(8)  .0991(9)  -.0073(5)  .0266(5)  -.0108(6)
  C1  .0544(7)  .0691(9)  .0543(7)  -.0025(6)  .0125(5)  -.0005(6)
  C2  .0516(7)  .0827(11)  .0688(9)  -.0153(7)  .0189(6)  -.0087(7)
  C3  .0611(8)  .0679(9)  .0692(9)  -.0155(7)  .0204(6)  -.0094(7)
  C4  .0529(7)  .0598(8)  .0571(7)  -.0038(6)  .0127(5)  .0033(6)
  C5  .0492(7)  .0603(8)  .0751(9)  -.0072(6)  .0140(6)  .0026(6)
  C6  .0580(8)  .0593(8)  .0723(9)  -.0065(6)  .0135(6)  -.0025(7)
  C7  .0659(9)  .0822(11)  .0715(9)  -.0042(8)  .0186(7)  -.0102(8)
  C8  .0665(10)  .1012(14)  .0932(12)  .0028(10)  .0274(8)  -.0135(11)
  C9  .0563(7)  .0588(8)  .0660(8)  -.0053(6)  .0166(6)  .0028(6)
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 .  .83(6) yes
  O1 C9 . 1.2611(19) yes
  O2 HO2 .  .87(7) yes
  O2 C9 . 1.2537(17) yes
  C1 C6 . 1.372(2) yes
  C1 C2 . 1.388(2) yes
  C1 C7 . 1.462(2) yes
  C2 H2 .  .930(19) ?
  C2 C3 . 1.365(2) yes
  C3 H3 .  .95(2) ?
  C3 C4 . 1.3780(19) yes
  C4 C5 . 1.379(2) yes
  C4 C9 . 1.464(2) yes
  C5 H5 .  .949(18) ?
  C5 C6 . 1.368(2) yes
  C6 H6 .  .966(17) ?
  C7 H7 .  .96(2) ?
  C7 C8 . 1.288(2) yes
  C8 H8B .  .96(2) ?
  C8 H8A . 1.03(2) ?