data_2200127
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2001
_journal_volume  57
_journal_page_first  o234
_journal_page_last  o235
_publ_section_title
;
3-Chloro-2-methylquinolin-4(1H)-one
;
loop_
_publ_author_name
  'Vasuki, G.'
  'Parthasarathi, V.'
  'Ramamurthi, K.'
  'Jaisankar, P.'
  'Varghese, B.'
_chemical_formula_moiety  'C10 H8 Cl N O'
_chemical_formula_sum  'C10 H8 Cl N O'
_chemical_formula_iupac  'C10 H8 Cl N O'
_chemical_formula_weight  193.62
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'C 2/c'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y, -z+1/2'
  'x+1/2, y+1/2, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y, z-1/2'
  '-x+1/2, -y+1/2, -z'
  'x+1/2, -y+1/2, z-1/2'
_cell_length_a  24.493(4)
_cell_length_b  6.365(2)
_cell_length_c  12.859(8)
_cell_angle_alpha  90.00
_cell_angle_beta  117.240(3)
_cell_angle_gamma  90.00
_cell_volume  1782.2(13)
_cell_formula_units_Z  8
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.443
_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
  Cl  .04456(3)  .21977(11)  .91307(5)  .0538(3) Uani d . 1 . . Cl
  O4  .11936(10)  -.1608(3)  .93680(15)  .0548(5) Uani d . 1 . . O
  N1  .11141(9)  .0026(3) 1.23448(15)  .0370(5) Uani d . 1 . . N
  C2  .08088(10)  .1205(4) 1.1385(2)  .0355(5) Uani d . 1 . . C
  C3  .08300(10)  .0666(4) 1.03717(19)  .0358(5) Uani d . 1 . . C
  C4  .11546(10)  -.1112(4) 1.02766(19)  .0364(5) Uani d . 1 . . C
  C5  .17490(11)  -.4268(4) 1.1327(2)  .0419(6) Uani d . 1 . . C
  C6  .20278(12)  -.5444(4) 1.2321(3)  .0489(6) Uani d . 1 . . C
  C7  .20264(12)  -.4770(5) 1.3352(2)  .0526(7) Uani d . 1 . . C
  C8  .17326(12)  -.2953(4) 1.3373(2)  .0476(6) Uani d . 1 . . C
  C9  .14292(10)  -.1762(4) 1.23524(19)  .0346(5) Uani d . 1 . . C
  C10  .14455(10)  -.2394(3) 1.13238(19)  .0333(5) Uani d . 1 . . C
  C11  .04653(12)  .3056(4) 1.1508(2)  .0464(6) Uani d . 1 . . C
  H11A  .0517  .3116 1.2294  .070 Uiso calc R 1 . . H
  H11B  .0037  .2917 1.0972  .070 Uiso calc R 1 . . H
  H11C  .0622  .4322 1.1338  .070 Uiso calc R 1 . . H
  H1  .1118  .0496 1.3000  .040 Uiso d . 1 . . H
  H5  .1738  -.4779 1.0530  .045 Uiso d . 1 . . H
  H6  .2196  -.6719 1.2278  .053 Uiso d . 1 . . H
  H7  .2211  -.5673 1.4060  .056 Uiso d . 1 . . H
  H8  .1740  -.2445 1.4119  .051 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
  Cl  .0669(5)  .0536(4)  .0399(4)  .0124(3)  .0236(3)  .0171(3)
  O4  .0892(14)  .0518(11)  .0363(10)  .0101(10)  .0399(10)  .0030(8)
  N1  .0484(11)  .0381(10)  .0290(9)  .0006(8)  .0215(8)  -.0015(8)
  C2  .0409(11)  .0315(11)  .0375(12)  -.0017(9)  .0207(9)  .0012(9)
  C3  .0434(11)  .0345(12)  .0298(11)  -.0016(9)  .0170(9)  .0040(9)
  C4  .0466(12)  .0350(11)  .0311(11)  -.0045(9)  .0207(9)  .0001(9)
  C5  .0465(12)  .0363(12)  .0480(13)  -.0027(10)  .0260(10)  -.0031(10)
  C6  .0484(13)  .0360(13)  .0638(16)  .0064(10)  .0271(12)  .0053(12)
  C7  .0555(15)  .0495(15)  .0505(16)  .0086(12)  .0223(12)  .0196(12)
  C8  .0570(15)  .0521(15)  .0355(13)  .0057(12)  .0227(11)  .0099(11)
  C9  .0399(11)  .0342(11)  .0324(11)  -.0024(9)  .0189(9)  .0011(9)
  C10  .0392(11)  .0314(11)  .0327(12)  -.0032(8)  .0192(9)  -.0005(8)
  C11  .0535(15)  .0390(13)  .0518(15)  .0046(11)  .0285(12)  .0000(11)
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
  Cl C3 . 1.734(2) ?
  O4 C4 . 1.255(3) ?
  N1 C2 . 1.342(3) ?
  N1 C9 . 1.373(3) yes
  N1 H1 .  .890 ?
  C2 C3 . 1.371(3) ?
  C2 C11 . 1.497(3) ?
  C3 C4 . 1.421(3) ?
  C4 C10 . 1.452(3) ?
  C5 C6 . 1.364(4) yes
  C5 C10 . 1.405(3) yes
  C5 H5 . 1.064 ?
  C6 C7 . 1.395(4) ?
  C6 H6 .  .923 ?
  C7 C8 . 1.369(4) ?
  C7 H7 .  .994 ?
  C8 C9 . 1.399(3) ?
  C8 H8 . 1.004 ?
  C9 C10 . 1.400(3) yes
  C11 H11A .  .960 ?
  C11 H11B .  .960 ?
  C11 H11C .  .960 ?