data_2200676
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2001
_journal_volume  57
_journal_page_first  o1209
_journal_page_last  o1210
_publ_section_title
;
2-Chlorobenzoxazolo[3,2-b]isoquinolin-6-one
;
loop_
_publ_author_name
  'Thangavel Ravishankar'
  'Kandasamy Chinnakali'
  'A. Senthilvelan'
  'Hoong-Kun Fun'
  'Vayalakkavoor T. Ramakrishnan'
  'Suchada Chantrapromma'
  'Ibrahim Abdul Razak'
  'Anwar Usman'
_chemical_formula_moiety  'C15 H8 Cl N O2'
_chemical_formula_sum  'C15 H8 Cl N O2'
_chemical_formula_iupac  'C15 H8 Cl N O2'
_chemical_formula_weight  269.67
_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  7.6104(6)
_cell_length_b  7.8699(7)
_cell_length_c  9.8571(9)
_cell_angle_alpha  81.891(2)
_cell_angle_beta  83.268(2)
_cell_angle_gamma  85.499(2)
_cell_volume  579.29(9)
_cell_formula_units_Z  2
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.546
_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
  Cl1  .05080(16)  .73131(14)  .02619(12)  .0661(5) Uani d . 1 . . Cl
  O1  .1434(3)  .3367(3)  .4778(2)  .0378(7) Uani d . 1 . . O
  O2  .7372(3)  .3159(3)  .3842(3)  .0494(7) Uani d . 1 . . O
  N1  .4401(3)  .3178(3)  .4435(3)  .0292(7) Uani d . 1 . . N
  C1  .3802(4)  .4267(4)  .3308(3)  .0294(8) Uani d . 1 . . C
  C2  .4660(5)  .5129(4)  .2139(4)  .0358(9) Uani d . 1 . . C
  H2  .5890  .5085  .1976  .043 Uiso calc R 1 . . H
  C3  .3590(5)  .6069(4)  .1212(4)  .0378(9) Uani d . 1 . . C
  H3  .4112  .6686  .0411  .045 Uiso calc R 1 . . H
  C4  .1762(5)  .6103(4)  .1462(4)  .0385(9) Uani d . 1 . . C
  C5  .0889(5)  .5231(4)  .2632(4)  .0394(9) Uani d . 1 . . C
  H5  -.0341  .5247  .2792  .047 Uiso calc R 1 . . H
  C6  .1977(5)  .4338(4)  .3539(4)  .0321(8) Uani d . 1 . . C
  C7  .2942(4)  .2648(4)  .5328(4)  .0309(8) Uani d . 1 . . C
  C8  .3030(5)  .1589(4)  .6504(4)  .0370(9) Uani d . 1 . . C
  H8  .2017  .1283  .7083  .044 Uiso calc R 1 . . H
  C9  .4778(5)  .0944(4)  .6829(4)  .0319(8) Uani d . 1 . . C
  C10  .5022(5)  -.0216(4)  .8019(4)  .0424(10) Uani d . 1 . . C
  H10  .4042  -.0567  .8619  .051 Uiso calc R 1 . . H
  C11  .6701(6)  -.0843(5)  .8308(4)  .0476(11) Uani d . 1 . . C
  H11  .6841  -.1596  .9110  .057 Uiso calc R 1 . . H
  C12  .8177(5)  -.0366(5)  .7423(4)  .0458(10) Uani d . 1 . . C
  H12  .9300  -.0815  .7620  .055 Uiso calc R 1 . . H
  C13  .7984(5)  .0771(4)  .6252(4)  .0403(9) Uani d . 1 . . C
  H13  .8980  .1107  .5665  .048 Uiso calc R 1 . . H
  C14  .6287(4)  .1432(4)  .5934(4)  .0321(8) Uani d . 1 . . C
  C15  .6157(5)  .2623(4)  .4669(4)  .0343(9) 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
  Cl1  .0657(8)  .0723(8)  .0567(8)  .0052(6)  -.0270(6)  .0157(6)
  O1  .0239(14)  .0445(14)  .0405(15)  -.0031(11)  -.0006(11)  .0083(11)
  O2  .0278(16)  .0661(17)  .0495(17)  -.0096(13)  -.0009(13)  .0101(13)
  N1  .0240(16)  .0299(15)  .0322(17)  -.0045(12)  -.0029(12)  .0021(12)
  C1  .030(2)  .0265(16)  .032(2)  -.0021(14)  -.0060(15)  -.0020(14)
  C2  .034(2)  .0344(18)  .037(2)  -.0057(16)  -.0018(16)  .0024(16)
  C3  .044(2)  .0341(19)  .033(2)  -.0054(16)  -.0022(17)  .0035(15)
  C4  .043(2)  .0341(19)  .038(2)  .0047(17)  -.0127(18)  -.0010(16)
  C5  .034(2)  .0372(19)  .046(2)  -.0005(16)  -.0068(18)  -.0004(17)
  C6  .030(2)  .0304(18)  .033(2)  -.0038(15)  .0006(15)  .0005(15)
  C7  .0225(19)  .0317(18)  .037(2)  -.0028(14)  .0017(15)  -.0020(15)
  C8  .033(2)  .040(2)  .037(2)  -.0090(16)  .0009(16)  -.0011(17)
  C9  .035(2)  .0275(17)  .034(2)  -.0041(14)  -.0056(16)  -.0054(14)
  C10  .047(3)  .038(2)  .040(2)  -.0108(18)  -.0028(18)  .0036(16)
  C11  .060(3)  .036(2)  .048(3)  -.0067(19)  -.022(2)  .0064(18)
  C12  .042(2)  .041(2)  .056(3)  -.0023(18)  -.020(2)  .0024(19)
  C13  .034(2)  .038(2)  .049(2)  -.0034(16)  -.0080(18)  -.0036(17)
  C14  .030(2)  .0277(17)  .040(2)  -.0030(14)  -.0083(16)  -.0049(15)
  C15  .028(2)  .0364(19)  .039(2)  -.0073(16)  -.0047(16)  -.0041(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
  Cl1 C4 . 1.738(3) yes
  O1 C7 . 1.374(4) yes
  O1 C6 . 1.384(4) yes
  O2 C15 . 1.219(4) yes
  N1 C7 . 1.386(4) yes
  N1 C1 . 1.402(4) yes
  N1 C15 . 1.408(4) yes
  C1 C2 . 1.374(5) ?
  C1 C6 . 1.379(5) ?
  C2 C3 . 1.391(5) ?
  C2 H2 .  .93 ?
  C3 C4 . 1.383(5) ?
  C3 H3 .  .93 ?
  C4 C5 . 1.382(5) ?
  C5 C6 . 1.373(5) ?
  C5 H5 .  .93 ?
  C7 C8 . 1.333(5) yes
  C8 C9 . 1.442(5) ?
  C8 H8 .  .93 ?
  C9 C10 . 1.402(5) ?
  C9 C14 . 1.407(5) ?
  C10 C11 . 1.380(5) ?
  C10 H10 .  .93 ?
  C11 C12 . 1.382(6) ?
  C11 H11 .  .93 ?
  C12 C13 . 1.372(5) ?
  C12 H12 .  .93 ?
  C13 C14 . 1.407(5) ?
  C13 H13 .  .93 ?
  C14 C15 . 1.459(5) ?