data_2200410
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2001
_journal_volume  57
_journal_page_first  o659
_journal_page_last  o660
_publ_section_title
;
trans-2-(2-Hydroxyphenyl)cyclohexanol
;
loop_
_publ_author_name
  'Kandasamy Chinnakali'
  'Thangavel Ravishankar'
  'Kamaraj Sriraghavan'
  'Ibrahim Abdul Razak'
  'Hoong-Kun Fun'
  'Suchada Chantrapromma'
  'Vayalakkavoor T.Ramakrishnan'
_chemical_formula_moiety  'C12 H16 O2'
_chemical_formula_sum  'C12 H16 O2'
_chemical_formula_iupac  'C12 H16 O2'
_chemical_formula_weight  192.25
_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  9.0290(7)
_cell_length_b  10.0804(8)
_cell_length_c  12.1751(10)
_cell_angle_alpha  72.031(2)
_cell_angle_beta  81.913(2)
_cell_angle_gamma  89.545(2)
_cell_volume  1042.90(10)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.224
_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
  O1A  .6366(3)  .2862(3)  .4524(2)  .0573(7) Uani d . 1 . . O
  H1A  .6805  .3054  .5005  .086 Uiso calc R 1 . . H
  O2A  .3727(3)  .1731(3)  .4149(2)  .0626(8) Uani d . 1 . . O
  H2A  .4441  .1967  .4403  .094 Uiso calc R 1 . . H
  C1A  .6423(4)  .5366(4)  .3718(3)  .0532(10) Uani d . 1 . . C
  H1B  .6646  .5461  .4413  .064 Uiso calc R 1 . . H
  C2A  .6255(4)  .6534(4)  .2800(4)  .0620(11) Uani d . 1 . . C
  H2B  .6345  .7420  .2874  .074 Uiso calc R 1 . . H
  C3A  .5957(4)  .6374(4)  .1780(4)  .0638(11) Uani d . 1 . . C
  H3A  .5866  .7161  .1151  .077 Uiso calc R 1 . . H
  C4A  .5786(4)  .5064(4)  .1666(3)  .0538(10) Uani d . 1 . . C
  H4A  .5570  .4986  .0963  .065 Uiso calc R 1 . . H
  C5A  .5929(3)  .3863(3)  .2580(3)  .0402(8) Uani d . 1 . . C
  C6A  .6258(4)  .4048(4)  .3610(3)  .0431(9) Uani d . 1 . . C
  C7A  .5765(3)  .2407(4)  .2488(3)  .0412(8) Uani d . 1 . . C
  H7A  .6449  .1824  .2974  .049 Uiso calc R 1 . . H
  C8A  .6216(4)  .2325(4)  .1255(3)  .0534(10) Uani d . 1 . . C
  H8A  .5559  .2891  .0746  .064 Uiso calc R 1 . . H
  H8B  .7229  .2708  .0966  .064 Uiso calc R 1 . . H
  C9A  .6137(5)  .0843(4)  .1210(4)  .0644(11) Uani d . 1 . . C
  H9A  .6397  .0842  .0409  .077 Uiso calc R 1 . . H
  H9B  .6853  .0290  .1665  .077 Uiso calc R 1 . . H
  C10A  .4583(4)  .0204(4)  .1686(3)  .0616(11) Uani d . 1 . . C
  H10B  .4565  -.0761  .1693  .074 Uiso calc R 1 . . H
  H10A  .3884  .0700  .1181  .074 Uiso calc R 1 . . H
  C11A  .4096(4)  .0265(4)  .2913(3)  .0558(10) Uani d . 1 . . C
  H11B  .3075  -.0104  .3178  .067 Uiso calc R 1 . . H
  H11A  .4730  -.0316  .3434  .067 Uiso calc R 1 . . H
  C12A  .4187(4)  .1738(4)  .2967(3)  .0446(9) Uani d . 1 . . C
  H12A  .3485  .2293  .2480  .054 Uiso calc R 1 . . H
  O1B  .1221(3)  .2119(3)  .5432(2)  .0573(7) Uani d . 1 . . O
  H1C  .1905  .1935  .4990  .086 Uiso calc R 1 . . H
  O2B  -.1611(3)  .3230(3)  .5799(2)  .0603(8) Uani d . 1 . . O
  H2C  -.0748  .3256  .5473  .090 Uiso calc R 1 . . H
  C1B  .0957(4)  -.0388(4)  .6229(3)  .0520(10) Uani d . 1 . . C
  H1D  .1458  -.0494  .5541  .062 Uiso calc R 1 . . H
  C2B  .0419(4)  -.1540(4)  .7140(3)  .0559(10) Uani d . 1 . . C
  H2D  .0556  -.2425  .7064  .067 Uiso calc R 1 . . H
  C3B  -.0315(4)  -.1404(4)  .8156(3)  .0526(10) Uani d . 1 . . C
  H3B  -.0687  -.2188  .8769  .063 Uiso calc R 1 . . H
  C4B  -.0499(4)  -.0073(4)  .8258(3)  .0440(9) Uani d . 1 . . C
  H4B  -.0984  .0017  .8957  .053 Uiso calc R 1 . . H
  C5B  .0009(3)  .1113(3)  .7366(3)  .0383(8) Uani d . 1 . . C
  C6B  .0753(4)  .0941(4)  .6331(3)  .0434(8) Uani d . 1 . . C
  C7B  -.0191(3)  .2574(3)  .7458(3)  .0381(8) Uani d . 1 . . C
  H7B  .0673  .3146  .6969  .046 Uiso calc R 1 . . H
  C8B  -.0202(4)  .2668(4)  .8681(3)  .0464(9) Uani d . 1 . . C
  H8C  -.1041  .2106  .9194  .056 Uiso calc R 1 . . H
  H8D  .0709  .2284  .8969  .056 Uiso calc R 1 . . H
  C9B  -.0317(4)  .4152(4)  .8729(3)  .0568(10) Uani d . 1 . . C
  H9C  -.0371  .4149  .9531  .068 Uiso calc R 1 . . H
  H9D  .0569  .4699  .8281  .068 Uiso calc R 1 . . H
  C10B  -.1697(4)  .4809(4)  .8239(3)  .0578(10) Uani d . 1 . . C
  H10D  -.2586  .4327  .8742  .069 Uiso calc R 1 . . H
  H10C  -.1714  .5777  .8223  .069 Uiso calc R 1 . . H
  C11B  -.1713(4)  .4735(4)  .7023(3)  .0584(11) Uani d . 1 . . C
  H11D  -.0882  .5304  .6504  .070 Uiso calc R 1 . . H
  H11C  -.2632  .5117  .6752  .070 Uiso calc R 1 . . H
  C12B  -.1597(4)  .3248(4)  .6967(3)  .0442(9) Uani d . 1 . . C
  H12B  -.2478  .2703  .7457  .053 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
  O1A  .0737(18)  .0551(16)  .0487(15)  .0099(13)  -.0267(13)  -.0167(12)
  O2A  .0514(16)  .084(2)  .0534(16)  -.0049(15)  .0091(13)  -.0306(14)
  C1A  .047(2)  .061(3)  .059(2)  .0105(18)  -.0151(18)  -.026(2)
  C2A  .057(2)  .047(2)  .086(3)  .0159(19)  -.023(2)  -.022(2)
  C3A  .064(3)  .050(3)  .072(3)  .0168(19)  -.025(2)  -.005(2)
  C4A  .053(2)  .051(2)  .057(2)  .0111(18)  -.0214(18)  -.0098(19)
  C5A  .0322(17)  .047(2)  .0402(18)  .0092(15)  -.0073(14)  -.0104(16)
  C6A  .0369(18)  .046(2)  .046(2)  .0117(15)  -.0107(15)  -.0120(17)
  C7A  .0308(17)  .049(2)  .0434(19)  .0112(15)  -.0102(14)  -.0114(16)
  C8A  .048(2)  .063(3)  .052(2)  .0042(18)  -.0056(17)  -.0218(19)
  C9A  .063(3)  .073(3)  .064(3)  .013(2)  -.002(2)  -.034(2)
  C10A  .064(3)  .061(3)  .069(3)  .009(2)  -.019(2)  -.030(2)
  C11A  .052(2)  .048(2)  .065(2)  .0012(17)  -.0116(19)  -.0112(19)
  C12A  .0367(18)  .051(2)  .044(2)  .0091(15)  -.0070(15)  -.0114(16)
  O1B  .0577(17)  .0538(16)  .0537(16)  .0122(12)  .0091(12)  -.0147(13)
  O2B  .0558(16)  .0805(19)  .0523(15)  .0283(15)  -.0255(12)  -.0247(14)
  C1B  .046(2)  .058(3)  .055(2)  .0201(18)  -.0082(17)  -.023(2)
  C2B  .054(2)  .044(2)  .073(3)  .0175(18)  -.017(2)  -.019(2)
  C3B  .053(2)  .043(2)  .057(2)  .0055(17)  -.0133(18)  -.0063(18)
  C4B  .0410(19)  .050(2)  .0408(19)  .0098(16)  -.0071(15)  -.0130(17)
  C5B  .0267(16)  .048(2)  .0402(18)  .0106(14)  -.0117(14)  -.0115(16)
  C6B  .0397(19)  .048(2)  .043(2)  .0134(16)  -.0076(15)  -.0137(17)
  C7B  .0312(16)  .043(2)  .0385(18)  .0096(14)  -.0048(14)  -.0104(15)
  C8B  .049(2)  .050(2)  .045(2)  .0102(16)  -.0159(16)  -.0175(17)
  C9B  .065(2)  .054(2)  .059(2)  .0090(19)  -.0157(19)  -.0253(19)
  C10B  .059(2)  .050(2)  .068(3)  .0161(18)  -.008(2)  -.0248(19)
  C11B  .056(2)  .051(2)  .065(3)  .0211(18)  -.0133(19)  -.0114(19)
  C12B  .0385(18)  .049(2)  .043(2)  .0126(15)  -.0100(15)  -.0092(16)
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
  O1A C6A . 1.374(4) ?
  O1A H1A .  .820 ?
  O2A C12A . 1.439(4) ?
  O2A H2A .  .820 ?
  C1A C2A . 1.375(5) ?
  C1A C6A . 1.386(5) ?
  C1A H1B .  .930 ?
  C2A C3A . 1.363(5) ?
  C2A H2B .  .930 ?
  C3A C4A . 1.382(5) ?
  C3A H3A .  .930 ?
  C4A C5A . 1.389(5) ?
  C4A H4A .  .930 ?
  C5A C6A . 1.395(5) ?
  C5A C7A . 1.516(5) ?
  C7A C8A . 1.527(4) ?
  C7A C12A . 1.537(5) ?
  C7A H7A .  .980 ?
  C8A C9A . 1.515(6) ?
  C8A H8A .  .970 ?
  C8A H8B .  .970 ?
  C9A C10A . 1.509(6) ?
  C9A H9A .  .970 ?
  C9A H9B .  .970 ?
  C10A C11A . 1.516(5) ?
  C10A H10B .  .970 ?
  C10A H10A .  .970 ?
  C11A C12A . 1.509(5) ?
  C11A H11B .  .970 ?
  C11A H11A .  .970 ?
  C12A H12A .  .980 ?
  O1B C6B . 1.365(4) ?
  O1B H1C .  .820 ?
  O2B C12B . 1.429(4) ?
  O2B H2C .  .820 ?
  C1B C2B . 1.370(5) ?
  C1B C6B . 1.392(5) ?
  C1B H1D .  .930 ?
  C2B C3B . 1.364(5) ?
  C2B H2D .  .930 ?
  C3B C4B . 1.392(5) ?
  C3B H3B .  .930 ?
  C4B C5B . 1.374(4) ?
  C4B H4B .  .930 ?
  C5B C6B . 1.401(4) ?
  C5B C7B . 1.519(5) ?
  C7B C8B . 1.520(4) ?
  C7B C12B . 1.543(4) ?
  C7B H7B .  .980 ?
  C8B C9B . 1.516(5) ?
  C8B H8C .  .970 ?
  C8B H8D .  .970 ?
  C9B C10B . 1.516(5) ?
  C9B H9C .  .970 ?
  C9B H9D .  .970 ?
  C10B C11B . 1.507(5) ?
  C10B H10D .  .970 ?
  C10B H10C .  .970 ?
  C11B C12B . 1.523(5) ?
  C11B H11D .  .970 ?
  C11B H11C .  .970 ?
  C12B H12B .  .980 ?