data_2008335
_journal_name_full  'Acta Crystallographica'
_journal_year  1999
_journal_volume  C55
_journal_page_first  531
_journal_page_last  533
_publ_section_title
;
Monooxovanadium(V) complexes with bidentate N-phenylbenzohydroxamate
;
loop_
_publ_author_name
  'Chen, Wei'
  'Gao, Shan'
  'Liu, Shi-Xiong'
_chemical_formula_moiety  'C23 H19 N2 O6 V'
_chemical_formula_sum  'C23 H19 N2 O6 V'
_chemical_formula_iupac  '[V O (C10 H9 N O3) (C13 H10 NO2)]'
_chemical_formula_weight  470.34
_symmetry_cell_setting  Monoclinic
_symmetry_space_group_name_H-M  'P 21'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y+1/2, -z'
_cell_length_a  9.7200(10)
_cell_length_b  18.274(2)
_cell_length_c  12.5420(10)
_cell_angle_alpha  90.00
_cell_angle_beta  104.868(9)
_cell_angle_gamma  90.00
_cell_volume  2153.2(4)
_cell_formula_units_Z  4
_cell_measurement_temperature  300(2)
_exptl_crystal_density_diffrn  1.451
_diffrn_ambient_temperature  300(2)
_refine_ls_R_factor_obs  0.062
_refine_ls_wR_factor_obs  0.129
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
  V1 0.30436(9) 0.66027(4) 0.59668(6) 0.0380(2) Uani d . 1 . V
  O1 0.1867(4) 0.7399(2) 0.6007(3) 0.0462(9) Uani d . 1 . O
  O2 0.3516(4) 0.5642(2) 0.5532(3) 0.0530(10) Uani d . 1 . O
  O3 0.2988(6) 0.4484(3) 0.5127(5) 0.090(2) Uani d . 1 . O
  O4 0.2212(3) 0.6777(2) 0.4201(2) 0.0441(9) Uani d . 1 . O
  O5 0.4570(4) 0.7001(2) 0.5522(2) 0.0408(8) Uani d . 1 . O
  O6 0.3805(4) 0.6568(2) 0.7234(3) 0.0555(9) Uani d . 1 . O
  N1 0.1230(4) 0.5994(2) 0.5957(3) 0.0349(9) Uani d . 1 . N
  N2 0.4462(4) 0.7089(3) 0.4427(3) 0.0399(10) Uani d . 1 . N
  C1 0.0920(6) 0.7498(3) 0.6589(4) 0.0397(12) Uani d . 1 . C
  C2 0.0677(8) 0.8189(4) 0.6961(6) 0.052(2) Uani d . 1 . C
  C3 -0.0323(7) 0.8301(4) 0.7532(5) 0.0535(14) Uani d . 1 . C
  C4 -0.1130(8) 0.7747(4) 0.7758(5) 0.062(2) Uani d . 1 . C
  C5 -0.0948(7) 0.7054(4) 0.7373(5) 0.058(2) Uani d . 1 . C
  C6 0.0077(6) 0.6920(3) 0.6799(4) 0.0469(13) Uani d . 1 . C
  C7 0.0232(7) 0.6203(3) 0.6367(5) 0.0462(14) Uani d . 1 . C
  C8 0.1201(6) 0.5248(3) 0.5493(4) 0.0462(12) Uani d . 1 . C
  C9 0.2657(6) 0.5089(3) 0.5378(4) 0.0549(14) Uani d . 1 . C
  C10 0.0144(10) 0.5215(5) 0.4364(7) 0.067(2) Uani d . 1 . C
  C11 0.3158(6) 0.6987(3) 0.3763(4) 0.0397(11) Uani d . 1 . C
  C12 0.2815(6) 0.7176(3) 0.2577(4) 0.0423(12) Uani d . 1 . C
  C13 0.3463(6) 0.7763(3) 0.2176(5) 0.0443(13) Uani d . 1 . C
  C14 0.2987(8) 0.7963(4) 0.1096(5) 0.058(2) Uani d . 1 . C
  C15 0.1891(7) 0.7598(4) 0.0390(5) 0.068(2) Uani d . 1 . C
  C16 0.1240(7) 0.7023(5) 0.0769(5) 0.071(2) Uani d . 1 . C
  C17 0.1706(6) 0.6816(4) 0.1865(5) 0.057(2) Uani d . 1 . C
  C18 0.5796(5) 0.7147(3) 0.4144(4) 0.0396(12) Uani d . 1 . C
  C19 0.6232(6) 0.6605(4) 0.3547(4) 0.0522(13) Uani d . 1 . C
  C20 0.7500(7) 0.6676(5) 0.3265(6) 0.069(2) Uani d . 1 . C
  C21 0.8334(8) 0.7263(5) 0.3599(6) 0.074(2) Uani d . 1 . C
  C22 0.7897(10) 0.7802(6) 0.4211(9) 0.078(3) Uani d . 1 . C
  C23 0.6635(7) 0.7762(4) 0.4474(5) 0.056(2) Uani d . 1 . C
  V1' 0.21823(8) -0.00118(4) 0.92954(6) 0.0369(2) Uani d . 1 . V
  O1' 0.3352(4) -0.0811(2) 0.9204(3) 0.0433(9) Uani d . 1 . O
  O2' 0.1666(4) 0.0946(2) 0.9757(4) 0.0557(10) Uani d . 1 . O
  O3' 0.2312(5) 0.2070(3) 1.0324(5) 0.092(2) Uani d . 1 . O
  O4' 0.2844(3) -0.0206(2) 1.1056(3) 0.0413(9) Uani d . 1 . O
  O5' 0.0582(4) -0.0418(2) 0.9619(3) 0.0437(9) Uani d . 1 . O
  O6' 0.1540(4) 0.0080(3) 0.8004(3) 0.0556(10) Uani d . 1 . O
  N1' 0.4038(4) 0.0579(2) 0.9492(3) 0.0359(9) Uani d . 1 . N
  N2' 0.0567(4) -0.0481(3) 1.0703(3) 0.0390(10) Uani d . 1 . N
  C1' 0.4216(6) -0.0843(3) 0.8553(4) 0.0401(12) Uani d . 1 . C
  C2' 0.4374(6) -0.1507(4) 0.8034(5) 0.0482(14) Uani d . 1 . C
  C3' 0.5300(7) -0.1546(4) 0.7369(5) 0.061(2) Uani d . 1 . C
  C4' 0.6089(7) -0.0950(4) 0.7197(5) 0.060(2) Uani d . 1 . C
  C5' 0.5982(7) -0.0306(4) 0.7721(5) 0.056(2) Uani d . 1 . C
  C6' 0.5036(6) -0.0238(3) 0.8401(4) 0.0415(12) Uani d . 1 . C
  C7' 0.5019(6) 0.0422(3) 0.9017(4) 0.0396(11) Uani d . 1 . C
  C8' 0.4126(6) 0.1229(3) 1.0192(5) 0.0436(12) Uani d . 1 . C
  C9' 0.2599(6) 0.1470(3) 1.0093(5) 0.0549(15) Uani d . 1 . C
  C10' 0.5049(8) 0.1843(4) 0.9981(6) 0.065(2) Uani d . 1 . C
  C11' 0.1834(5) -0.0389(3) 1.1438(4) 0.0349(10) Uani d . 1 . C
  C12' 0.2030(5) -0.0510(3) 1.2626(4) 0.0392(12) Uani d . 1 . C
  C13' 0.1307(8) -0.1054(4) 1.3066(6) 0.050(2) Uani d . 1 . C
  C14' 0.1660(7) -0.1184(4) 1.4167(5) 0.058(2) Uani d . 1 . C
  C15' 0.2722(7) -0.0801(5) 1.4860(5) 0.078(2) Uani d . 1 . C
  C16' 0.3438(7) -0.0276(5) 1.4447(5) 0.077(2) Uani d . 1 . C
  C17' 0.3116(6) -0.0124(4) 1.3338(5) 0.058(2) Uani d . 1 . C
  C18' -0.0815(5) -0.0535(3) 1.0902(4) 0.0374(12) Uani d . 1 . C
  C19' -0.1368(7) 0.0064(4) 1.1313(5) 0.053(2) Uani d . 1 . C
  C20' -0.2694(6) 0.0015(5) 1.1541(5) 0.066(2) Uani d . 1 . C
  C21' -0.3429(7) -0.0635(5) 1.1329(6) 0.072(2) Uani d . 1 . C
  C22' -0.2908(7) -0.1226(5) 1.0881(6) 0.063(2) Uani d . 1 . C
  C23' -0.1598(7) -0.1168(4) 1.0654(6) 0.054(2) Uani d . 1 . C
  H2 0.106(6)  0.845(3)  0.691(4)  0.019(17) Uiso d . 1 . H
  H3 -0.042(6)  0.884(3)  0.784(4)  0.054(16) Uiso d . 1 . H
  H4 -0.174(6)  0.779(3)  0.819(5)  0.057(17) Uiso d . 1 . H
  H5 -0.139(6)  0.659(4)  0.751(4)  0.053(15) Uiso d . 1 . H
  H7 -0.036(5)  0.598(2)  0.628(3)  0.011(11) Uiso d . 1 . H
  H8 0.090(5)  0.489(3)  0.603(4)  0.035(12) Uiso d . 1 . H
  H10A -0.089(8)  0.536(4)  0.441(6)  0.09(2)  Uiso d . 1 . H
  H10B 0.039(9)  0.556(5)  0.383(7)  0.11(3)  Uiso d . 1 . H
  H10C 0.005(15)  0.495(8)  0.434(10)  0.16(6)  Uiso d . 1 . H
  H13 0.426(6)  0.802(3)  0.273(4)  0.043(14) Uiso d . 1 . H
  H14 0.331(5)  0.823(3)  0.082(4)  0.029(14) Uiso d . 1 . H
  H15 0.157(4)  0.775(2)  -0.041(4)  0.028(11) Uiso d . 1 . H
  H16 0.040(6)  0.677(3)  0.023(5)  0.064(17) Uiso d . 1 . H
  H17 0.125(6)  0.645(3)  0.213(4)  0.044(15) Uiso d . 1 . H
  H19 0.558(7)  0.608(4)  0.356(5)  0.08(2)  Uiso d . 1 . H
  H20 0.789(7)  0.628(4)  0.293(5)  0.066(19) Uiso d . 1 . H
  H21 0.922(9)  0.718(4)  0.345(6)  0.10(3)  Uiso d . 1 . H
  H22 0.831(10)  0.805(5)  0.424(8)  0.10(4)  Uiso d . 1 . H
  H23 0.625(6)  0.815(3)  0.490(4)  0.042(14) Uiso d . 1 . H
  H2' 0.385(5)  -0.195(3)  0.826(4)  0.040(14) Uiso d . 1 . H
  H3' 0.534(5)  -0.200(3)  0.706(4)  0.038(14) Uiso d . 1 . H
  H4' 0.670(6)  -0.093(3)  0.664(5)  0.058(17) Uiso d . 1 . H
  H5' 0.660(6)  0.014(4)  0.767(4)  0.060(18) Uiso d . 1 . H
  H7' 0.585(5)  0.076(3)  0.905(4)  0.032(12) Uiso d . 1 . H
  H8' 0.440(5)  0.102(3)  1.087(4)  0.039(14) Uiso d . 1 . H
  H10' 0.600(6)  0.169(3)  1.009(4)  0.046(15) Uiso d . 1 . H
  H10" 0.509(5)  0.218(3)  1.056(4)  0.040(13) Uiso d . 1 . H
  H10* 0.481(6)  0.197(3)  0.911(5)  0.059(16) Uiso d . 1 . H
  H13' 0.086(5)  -0.121(3)  1.273(4)  0.017(16) Uiso d . 1 . H
  H14' 0.130(8)  -0.160(4)  1.450(6)  0.10(3)  Uiso d . 1 . H
  H15' 0.281(5)  -0.084(3)  1.551(5)  0.041(14) Uiso d . 1 . H
  H16' 0.401(7)  0.006(4)  1.483(5)  0.07(2)  Uiso d . 1 . H
  H17' 0.350(6)  0.025(4)  1.294(5)  0.061(18) Uiso d . 1 . H
  H19' -0.102(6)  0.034(3)  1.149(5)  0.05(2)  Uiso d . 1 . H
  H20' -0.296(8)  0.033(4)  1.207(6)  0.09(3)  Uiso d . 1 . H
  H21' -0.431(10)  -0.075(5)  1.156(7)  0.13(3)  Uiso d . 1 . H
  H22' -0.340(6)  -0.166(4)  1.062(5)  0.055(18) Uiso d . 1 . H
  H23' -0.133(6)  -0.149(3)  1.034(4)  0.042(16) 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
  V1 0.0419(5) 0.0353(5) 0.0374(4) -0.0040(4) 0.0113(3) 0.0019(4)
  O1 0.056(2) 0.034(2) 0.057(2) 0.002(2) 0.028(2) 0.006(2)
  O2 0.053(2) 0.038(2) 0.069(3) 0.000(2) 0.018(2) -0.008(2)
  O3 0.095(4) 0.046(3) 0.142(5) 0.004(3) 0.054(4) -0.023(3)
  O4 0.041(2) 0.056(3) 0.039(2) -0.007(2) 0.0159(15) 0.006(2)
  O5 0.040(2) 0.046(2) 0.037(2) -0.013(2) 0.0119(15) -0.003(2)
  O6 0.062(2) 0.058(2) 0.044(2) -0.014(2) 0.009(2) 0.001(2)
  N1 0.039(2) 0.033(2) 0.034(2) -0.005(2) 0.012(2) 0.003(2)
  N2 0.038(2) 0.046(3) 0.040(2) -0.005(2) 0.018(2) -0.002(2)
  C1 0.047(3) 0.035(3) 0.038(3) 0.008(2) 0.011(2) 0.006(2)
  C2 0.056(4) 0.038(4) 0.056(4) 0.005(3) 0.005(3) -0.004(3)
  C3 0.053(3) 0.050(4) 0.055(3) 0.010(3) 0.008(3) -0.009(3)
  C4 0.061(4) 0.071(5) 0.060(4) 0.018(3) 0.027(3) 0.004(3)
  C5 0.055(4) 0.061(4) 0.065(4) 0.004(3) 0.031(3) 0.009(3)
  C6 0.057(3) 0.039(3) 0.047(3) 0.005(2) 0.017(3) 0.001(2)
  C7 0.043(3) 0.045(3) 0.051(3) -0.014(3) 0.014(3) 0.004(3)
  C8 0.062(3) 0.027(2) 0.049(3) -0.010(2) 0.015(3) -0.004(2)
  C9 0.063(3) 0.048(4) 0.055(3) -0.004(3) 0.016(3) -0.012(3)
  C10 0.075(5) 0.056(4) 0.057(4) -0.014(4) -0.003(3) -0.011(3)
  C11 0.043(3) 0.035(3) 0.041(3) -0.002(2) 0.010(2) -0.001(2)
  C12 0.049(3) 0.041(3) 0.039(3) 0.005(2) 0.015(2) 0.005(2)
  C13 0.046(3) 0.038(3) 0.054(3) 0.006(2) 0.022(3) 0.003(2)
  C14 0.067(4) 0.056(4) 0.059(4) 0.024(3) 0.031(4) 0.027(3)
  C15 0.056(4) 0.100(6) 0.046(3) 0.033(4) 0.010(3) 0.026(3)
  C16 0.051(4) 0.114(6) 0.044(3) -0.006(4) 0.008(3) 0.003(4)
  C17 0.047(3) 0.076(5) 0.047(3) -0.014(3) 0.010(3) 0.004(3)
  C18 0.038(3) 0.043(3) 0.037(2) -0.001(2) 0.008(2) 0.000(2)
  C19 0.050(3) 0.046(3) 0.061(3) 0.003(3) 0.014(2) -0.006(3)
  C20 0.056(4) 0.074(5) 0.079(4) 0.013(4) 0.024(3) -0.017(4)
  C21 0.043(4) 0.108(7) 0.076(5) -0.002(4) 0.025(3) -0.004(4)
  C22 0.059(5) 0.072(6) 0.105(6) -0.022(5) 0.026(4) 0.002(5)
  C23 0.055(4) 0.052(4) 0.062(4) -0.010(3) 0.019(3) -0.011(3)
  V1' 0.0382(4) 0.0376(5) 0.0343(4) -0.0043(4) 0.0081(3) 0.0034(4)
  O1' 0.058(2) 0.030(2) 0.044(2) 0.000(2) 0.017(2) 0.001(2)
  O2' 0.043(2) 0.047(2) 0.080(3) 0.008(2) 0.020(2) -0.008(2)
  O3' 0.071(3) 0.062(3) 0.146(5) -0.001(3) 0.034(3) -0.045(3)
  O4' 0.040(2) 0.047(2) 0.038(2) -0.0066(15) 0.0123(15) -0.0014(14)
  O5' 0.040(2) 0.057(2) 0.033(2) -0.013(2) 0.0089(15) -0.004(2)
  O6' 0.061(2) 0.063(3) 0.040(2) -0.010(2) 0.009(2) 0.013(2)
  N1' 0.043(2) 0.032(2) 0.034(2) -0.002(2) 0.012(2) 0.003(2)
  N2' 0.037(2) 0.045(3) 0.035(2) -0.009(2) 0.008(2) 0.000(2)
  C1' 0.041(3) 0.046(3) 0.034(2) 0.007(2) 0.010(2) 0.003(2)
  C2' 0.046(3) 0.047(4) 0.048(3) 0.001(3) 0.005(3) 0.000(3)
  C3' 0.062(4) 0.065(4) 0.054(3) 0.020(3) 0.008(3) -0.017(3)
  C4' 0.054(4) 0.074(5) 0.058(4) 0.014(3) 0.026(3) -0.005(3)
  C5' 0.054(4) 0.061(4) 0.058(3) 0.000(3) 0.021(3) -0.003(3)
  C6' 0.047(3) 0.040(3) 0.039(3) 0.003(2) 0.013(2) 0.000(2)
  C7' 0.041(3) 0.036(3) 0.043(3) -0.004(2) 0.014(2) 0.007(2)
  C8' 0.048(3) 0.038(3) 0.045(3) -0.007(2) 0.012(2) -0.008(2)
  C9' 0.061(4) 0.051(4) 0.056(3) -0.003(3) 0.020(3) -0.009(3)
  C10' 0.070(5) 0.050(4) 0.076(5) -0.018(3) 0.023(4) -0.017(3)
  C11' 0.036(2) 0.031(3) 0.038(2) -0.001(2) 0.011(2) 0.002(2)
  C12' 0.034(2) 0.046(3) 0.036(2) 0.004(2) 0.007(2) 0.004(2)
  C13' 0.045(4) 0.058(4) 0.050(4) -0.002(3) 0.014(3) 0.002(3)
  C14' 0.048(3) 0.075(5) 0.052(4) 0.007(3) 0.016(3) 0.026(3)
  C15' 0.050(4) 0.147(8) 0.035(3) 0.008(4) 0.011(3) 0.029(4)
  C16' 0.055(4) 0.132(8) 0.037(3) -0.015(4) 0.001(3) -0.008(4)
  C17' 0.047(3) 0.081(5) 0.050(3) -0.005(3) 0.017(3) 0.007(3)
  C18' 0.034(2) 0.040(3) 0.037(2) 0.000(2) 0.009(2) 0.002(2)
  C19' 0.051(3) 0.047(4) 0.053(3) 0.002(3) 0.001(3) -0.013(3)
  C20' 0.046(3) 0.094(5) 0.054(3) 0.018(4) 0.006(3) -0.014(4)
  C21' 0.034(3) 0.113(7) 0.069(4) 0.002(4) 0.014(3) 0.000(4)
  C22' 0.039(3) 0.064(5) 0.089(5) -0.013(3) 0.021(3) -0.002(4)
  C23' 0.048(3) 0.039(4) 0.075(4) -0.006(3) 0.018(3) -0.011(3)
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
  V1 O6 . 1.573(3) y
  V1 O1 . 1.859(4) y
  V1 O5 . 1.862(3) y
  V1 O2 . 1.928(4) y
  V1 N1 . 2.081(4) y
  V1 O4 . 2.177(3) y
  O1 C1 . 1.326(6) ?
  O2 C9 . 1.294(7) ?
  O3 C9 . 1.216(8) ?
  O4 C11 . 1.246(6) ?
  O5 N2 . 1.360(5) ?
  N1 C7 . 1.267(7) ?
  N1 C8 . 1.481(6) ?
  N2 C11 . 1.339(6) ?
  N2 C18 . 1.434(6) ?
  C1 C2 . 1.387(9) ?
  C1 C6 . 1.402(8) ?
  C2 C3 . 1.363(10) ?
  C3 C4 . 1.354(10) ?
  C4 C5 . 1.383(10) ?
  C5 C6 . 1.393(8) ?
  C6 C7 . 1.441(8) ?
  C8 C9 . 1.487(8) ?
  C8 C10 . 1.523(10) ?
  C11 C12 . 1.480(7) ?
  C12 C17 . 1.377(8) ?
  C12 C13 . 1.400(8) ?
  C13 C14 . 1.365(8) ?
  C14 C15 . 1.371(10) ?
  C15 C16 . 1.373(10) ?
  C16 C17 . 1.385(8) ?
  C18 C19 . 1.372(8) ?
  C18 C23 . 1.388(8) ?
  C19 C20 . 1.373(8) ?
  C20 C21 . 1.344(11) ?
  C21 C22 . 1.382(13) ?
  C22 C23 . 1.352(11) ?
  V1' O6' . 1.589(3) y
  V1' O5' . 1.860(4) y
  V1' O1' . 1.872(4) y
  V1' O2' . 1.949(4) y
  V1' N1' . 2.062(4) y
  V1' O4' . 2.165(3) y
  O1' C1' . 1.313(6) ?
  O2' C9' . 1.312(7) ?
  O3' C9' . 1.185(8) ?
  O4' C11' . 1.244(6) ?
  O5' N2' . 1.369(5) ?
  N1' C7' . 1.280(6) ?
  N1' C8' . 1.466(6) ?
  N2' C11' . 1.346(6) ?
  N2' C18' . 1.431(6) ?
  C1' C6' . 1.404(8) ?
  C1' C2' . 1.405(8) ?
  C2' C3' . 1.377(9) ?
  C3' C4' . 1.381(10) ?
  C4' C5' . 1.365(9) ?
  C5' C6' . 1.410(8) ?
  C6' C7' . 1.437(7) ?
  C8' C10' . 1.501(8) ?
  C8' C9' . 1.523(8) ?
  C11' C12' . 1.470(7) ?
  C12' C17' . 1.387(8) ?
  C12' C13' . 1.409(9) ?
  C13' C14' . 1.355(9) ?
  C14' C15' . 1.360(10) ?
  C15' C16' . 1.363(11) ?
  C16' C17' . 1.374(8) ?
  C18' C23' . 1.376(8) ?
  C18' C19' . 1.376(9) ?
  C19' C20' . 1.393(9) ?
  C20' C21' . 1.375(12) ?
  C21' C22' . 1.374(11) ?
  C22' C23' . 1.378(9) ?