#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2202399.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2202399
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2003
_journal_volume  59
_journal_page_first  o1878
_journal_page_last  o1880
_publ_section_title
;
5''-Benzylidene-1'-methyl-4'-phenylindole-3-spiro-2'-pyrrolidine-3'-spiro-3''-
piperidine-2(3H),4''-dione
;
loop_
_publ_author_name
  'M. M. Govind'
  'S. Selvanayagam'
  'D. Velmurugan'
  'K. Ravikumar'
  'Gowri Sridhar'
  'R. Raghunathan'
_chemical_formula_moiety  'C30 H29 N3 O2'
_chemical_formula_sum  'C30 H29 N3 O2'
_chemical_formula_iupac  'C30 H29 N3 O2'
_chemical_formula_weight  463.56
_symmetry_cell_setting  'Monoclinic'
_symmetry_space_group_name_H-M  'P 21/n'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x-1/2, -y-1/2, z-1/2'
_cell_length_a  10.6889(7)
_cell_length_b  18.9025(12)
_cell_length_c  12.5270(8)
_cell_angle_alpha  90.00
_cell_angle_beta  95.2830(10)
_cell_angle_gamma  90.00
_cell_volume  2520.3(3)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.222
_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
  N1 0.48578(12) 0.05034(8) 0.13101(11) 0.0415(4) Uani d . 1 . . N
  H1 0.4284 0.0308 0.0882 0.050 Uiso calc R 1 . . H
  C2 0.46189(15) 0.09039(9) 0.22118(13) 0.0380(4) Uani d . 1 . . C
  C3 0.34809(16) 0.10568(10) 0.25845(15) 0.0489(5) Uani d . 1 . . C
  H3 0.2729 0.0920 0.2209 0.059 Uiso calc R 1 . . H
  C4 0.35009(19) 0.14222(12) 0.35403(17) 0.0609(6) Uani d . 1 . . C
  H4 0.2744 0.1538 0.3807 0.073 Uiso calc R 1 . . H
  C5 0.46088(19) 0.16194(12) 0.41093(17) 0.0588(5) Uani d . 1 . . C
  H5 0.4592 0.1860 0.4756 0.071 Uiso calc R 1 . . H
  C6 0.57489(17) 0.14610(10) 0.37227(14) 0.0468(4) Uani d . 1 . . C
  H6 0.6500 0.1587 0.4110 0.056 Uiso calc R 1 . . H
  C7 0.57542(15) 0.11133(9) 0.27529(13) 0.0364(4) Uani d . 1 . . C
  C8 0.68287(14) 0.08674(9) 0.21422(13) 0.0364(4) Uani d . 1 . . C
  C9 0.61006(15) 0.04616(9) 0.11963(13) 0.0394(4) Uani d . 1 . . C
  N10 0.76906(13) 0.04031(8) 0.27999(11) 0.0429(4) Uani d . 1 . . N
  C11 0.88892(15) 0.04145(10) 0.23388(15) 0.0468(5) Uani d . 1 . . C
  H11A 0.8848 0.0156 0.1667 0.056 Uiso calc R 1 . . H
  H11B 0.9556 0.0219 0.2829 0.056 Uiso calc R 1 . . H
  C12 0.90743(14) 0.11982(9) 0.21664(13) 0.0387(4) Uani d . 1 . . C
  H12 0.9259 0.1410 0.2877 0.046 Uiso calc R 1 . . H
  C13 0.77340(14) 0.14584(9) 0.17336(13) 0.0348(4) Uani d . 1 . . C
  C14 1.01211(15) 0.14221(10) 0.15007(14) 0.0408(4) Uani d . 1 . . C
  C15 1.06749(17) 0.20810(10) 0.16772(16) 0.0511(5) Uani d . 1 . . C
  H15 1.0402 0.2373 0.2207 0.061 Uiso calc R 1 . . H
  C16 1.1621(2) 0.23136(12) 0.10851(18) 0.0613(6) Uani d . 1 . . C
  H16 1.1973 0.2759 0.1214 0.074 Uiso calc R 1 . . H
  C17 1.2040(2) 0.18905(14) 0.03097(18) 0.0648(6) Uani d . 1 . . C
  H17 1.2679 0.2046 -0.0089 0.078 Uiso calc R 1 . . H
  C18 1.15167(18) 0.12389(13) 0.01214(16) 0.0622(6) Uani d . 1 . . C
  H18 1.1801 0.0950 -0.0406 0.075 Uiso calc R 1 . . H
  C19 1.05615(17) 0.10046(11) 0.07138(15) 0.0525(5) Uani d . 1 . . C
  H19 1.0213 0.0559 0.0578 0.063 Uiso calc R 1 . . H
  C20 0.75705(14) 0.15373(9) 0.05112(13) 0.0395(4) Uani d . 1 . . C
  H20A 0.8101 0.1916 0.0289 0.047 Uiso calc R 1 . . H
  H20B 0.7810 0.1102 0.0173 0.047 Uiso calc R 1 . . H
  N21 0.62564(12) 0.16966(8) 0.01937(10) 0.0394(3) Uani d . 1 . . N
  C22 0.59718(17) 0.24224(9) 0.04656(14) 0.0430(4) Uani d . 1 . . C
  H22A 0.5074 0.2501 0.0329 0.052 Uiso calc R 1 . . H
  H22B 0.6393 0.2740 0.0007 0.052 Uiso calc R 1 . . H
  C23 0.63742(15) 0.25949(9) 0.16199(13) 0.0377(4) Uani d . 1 . . C
  C24 0.74271(15) 0.21831(9) 0.21959(13) 0.0370(4) Uani d . 1 . . C
  C25 0.58269(16) 0.30882(9) 0.21864(14) 0.0422(4) Uani d . 1 . . C
  H25 0.6146 0.3130 0.2900 0.051 Uiso calc R 1 . . H
  C26 0.47978(16) 0.35719(9) 0.18434(14) 0.0419(4) Uani d . 1 . . C
  C27 0.4547(2) 0.38209(10) 0.08044(16) 0.0568(5) Uani d . 1 . . C
  H27 0.5054 0.3678 0.0279 0.068 Uiso calc R 1 . . H
  C28 0.3560(2) 0.42775(12) 0.05358(19) 0.0702(7) Uani d . 1 . . C
  H28 0.3397 0.4431 -0.0169 0.084 Uiso calc R 1 . . H
  C29 0.2820(2) 0.45048(12) 0.1303(2) 0.0746(7) Uani d . 1 . . C
  H29 0.2148 0.4807 0.1119 0.089 Uiso calc R 1 . . H
  C30 0.3074(2) 0.42850(12) 0.2343(2) 0.0700(6) Uani d . 1 . . C
  H30 0.2588 0.4449 0.2870 0.084 Uiso calc R 1 . . H
  C31 0.40445(19) 0.38222(11) 0.26091(17) 0.0561(5) Uani d . 1 . . C
  H31 0.4201 0.3673 0.3316 0.067 Uiso calc R 1 . . H
  O32 0.65823(11) 0.01101(7) 0.05185(10) 0.0491(3) Uani d . 1 . . O
  C33 0.71957(19) -0.02955(11) 0.30353(18) 0.0598(5) Uani d . 1 . . C
  H33A 0.6405 -0.0243 0.3334 0.090 Uiso calc R 1 . . H
  H33B 0.7779 -0.0535 0.3540 0.090 Uiso calc R 1 . . H
  H33C 0.7078 -0.0567 0.2386 0.090 Uiso calc R 1 . . H
  C34 0.58851(19) 0.15563(11) -0.09321(15) 0.0557(5) Uani d . 1 . . C
  H34A 0.6088 0.1076 -0.1096 0.084 Uiso calc R 1 . . H
  H34B 0.6326 0.1872 -0.1367 0.084 Uiso calc R 1 . . H
  H34C 0.4997 0.1628 -0.1076 0.084 Uiso calc R 1 . . H
  O35 0.80183(11) 0.24174(7) 0.29905(10) 0.0513(3) Uani d . 1 . . O
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
  N1 0.0339(7) 0.0455(9) 0.0435(8) -0.0055(6) -0.0051(6) -0.0087(6)
  C2 0.0374(9) 0.0363(9) 0.0396(9) -0.0018(7) -0.0006(7) -0.0006(7)
  C3 0.0352(9) 0.0580(12) 0.0529(12) -0.0006(8) 0.0020(8) 0.0008(9)
  C4 0.0475(11) 0.0761(15) 0.0611(14) 0.0052(10) 0.0158(10) -0.0062(11)
  C5 0.0589(12) 0.0695(14) 0.0494(12) 0.0011(10) 0.0118(10) -0.0147(10)
  C6 0.0441(10) 0.0542(12) 0.0415(10) -0.0017(8) 0.0012(8) -0.0078(8)
  C7 0.0359(8) 0.0361(9) 0.0369(9) 0.0011(7) 0.0017(7) -0.0010(7)
  C8 0.0339(8) 0.0371(9) 0.0369(9) 0.0019(7) -0.0034(7) -0.0046(7)
  C9 0.0388(9) 0.0359(9) 0.0423(10) 0.0004(7) -0.0036(7) -0.0050(7)
  N10 0.0373(8) 0.0427(8) 0.0473(9) 0.0037(6) -0.0034(6) 0.0033(6)
  C11 0.0367(9) 0.0487(11) 0.0530(11) 0.0097(8) -0.0059(8) -0.0030(8)
  C12 0.0316(8) 0.0455(10) 0.0379(9) 0.0038(7) -0.0035(7) -0.0072(7)
  C13 0.0285(8) 0.0394(9) 0.0358(9) 0.0020(6) -0.0013(7) -0.0057(7)
  C14 0.0287(8) 0.0516(11) 0.0404(10) 0.0046(7) -0.0055(7) -0.0063(8)
  C15 0.0428(10) 0.0535(12) 0.0558(12) 0.0000(9) -0.0009(9) -0.0082(9)
  C16 0.0529(12) 0.0614(14) 0.0687(15) -0.0084(10) 0.0012(11) 0.0082(11)
  C17 0.0481(12) 0.0900(18) 0.0566(13) 0.0012(12) 0.0059(10) 0.0177(12)
  C18 0.0501(12) 0.0885(17) 0.0485(12) 0.0131(11) 0.0079(9) -0.0079(11)
  C19 0.0446(10) 0.0599(13) 0.0521(12) 0.0034(9) -0.0001(9) -0.0126(9)
  C20 0.0359(9) 0.0438(10) 0.0384(10) 0.0035(7) 0.0019(7) -0.0053(7)
  N21 0.0373(7) 0.0440(8) 0.0355(8) 0.0049(6) -0.0041(6) -0.0056(6)
  C22 0.0405(9) 0.0437(10) 0.0439(10) 0.0058(8) 0.0001(8) 0.0021(8)
  C23 0.0355(9) 0.0358(9) 0.0411(10) -0.0006(7) 0.0003(7) -0.0015(7)
  C24 0.0343(8) 0.0397(9) 0.0370(9) -0.0023(7) 0.0029(7) -0.0047(7)
  C25 0.0459(10) 0.0397(10) 0.0407(10) 0.0013(8) 0.0019(8) -0.0016(7)
  C26 0.0433(9) 0.0354(9) 0.0468(11) 0.0023(7) 0.0030(8) -0.0034(7)
  C27 0.0709(13) 0.0492(12) 0.0499(12) 0.0147(10) 0.0031(10) -0.0035(9)
  C28 0.0878(17) 0.0568(14) 0.0620(14) 0.0223(12) -0.0141(12) -0.0028(10)
  C29 0.0609(14) 0.0572(14) 0.104(2) 0.0205(11) -0.0031(13) 0.0000(13)
  C30 0.0627(14) 0.0599(14) 0.0912(18) 0.0163(11) 0.0279(13) 0.0057(12)
  C31 0.0625(12) 0.0487(12) 0.0595(13) 0.0098(10) 0.0177(10) 0.0064(9)
  O32 0.0460(7) 0.0500(8) 0.0502(8) 0.0043(6) -0.0023(6) -0.0203(6)
  C33 0.0576(12) 0.0484(12) 0.0720(14) 0.0025(9) -0.0015(10) 0.0122(10)
  C34 0.0598(12) 0.0637(13) 0.0411(11) 0.0111(10) -0.0092(9) -0.0073(9)
  O35 0.0450(7) 0.0541(8) 0.0520(8) 0.0059(6) -0.0097(6) -0.0190(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
  N1 C9 . 1.351(2) ?
  N1 C2 . 1.403(2) ?
  N1 H1 . 0.8600 ?
  C2 C3 . 1.373(2) ?
  C2 C7 . 1.392(2) ?
  C3 C4 . 1.381(3) ?
  C3 H3 . 0.9300 ?
  C4 C5 . 1.376(3) ?
  C4 H4 . 0.9300 ?
  C5 C6 . 1.385(3) ?
  C5 H5 . 0.9300 ?
  C6 C7 . 1.382(2) ?
  C6 H6 . 0.9300 ?
  C7 C8 . 1.511(2) ?
  C8 N10 . 1.469(2) ?
  C8 C9 . 1.558(2) ?
  C8 C13 . 1.593(2) ?
  C9 O32 . 1.2280(19) ?
  N10 C11 . 1.453(2) y
  N10 C33 . 1.463(2) y
  C11 C12 . 1.513(2) ?
  C11 H11A . 0.9700 ?
  C11 H11B . 0.9700 ?
  C12 C14 . 1.516(2) ?
  C12 C13 . 1.564(2) ?
  C12 H12 . 0.9800 ?
  C13 C20 . 1.532(2) ?
  C13 C24 . 1.534(2) ?
  C14 C19 . 1.379(2) ?
  C14 C15 . 1.388(2) ?
  C15 C16 . 1.380(3) ?
  C15 H15 . 0.9300 ?
  C16 C17 . 1.365(3) ?
  C16 H16 . 0.9300 ?
  C17 C18 . 1.364(3) ?
  C17 H17 . 0.9300 ?
  C18 C19 . 1.389(3) ?
  C18 H18 . 0.9300 ?
  C19 H19 . 0.9300 ?
  C20 N21 . 1.4557(19) ?
  C20 H20A . 0.9700 ?
  C20 H20B . 0.9700 ?
  N21 C22 . 1.453(2) ?
  N21 C34 . 1.454(2) ?
  C22 C23 . 1.506(2) ?
  C22 H22A . 0.9700 ?
  C22 H22B . 0.9700 ?
  C23 C25 . 1.339(2) ?
  C23 C24 . 1.498(2) ?
  C24 O35 . 1.2126(19) ?
  C25 C26 . 1.464(2) ?
  C25 H25 . 0.9300 ?
  C26 C27 . 1.387(3) ?
  C26 C31 . 1.391(3) ?
  C27 C28 . 1.381(3) ?
  C27 H27 . 0.9300 ?
  C28 C29 . 1.368(3) ?
  C28 H28 . 0.9300 ?
  C29 C30 . 1.371(3) ?
  C29 H29 . 0.9300 ?
  C30 C31 . 1.374(3) ?
  C30 H30 . 0.9300 ?
  C31 H31 . 0.9300 ?
  C33 H33A . 0.9600 ?
  C33 H33B . 0.9600 ?
  C33 H33C . 0.9600 ?
  C34 H34A . 0.9600 ?
  C34 H34B . 0.9600 ?
  C34 H34C . 0.9600 ?