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The VV atom in the title complex, [V(C13H9NO2)(C13H10NO2)O], is coordinated by two O atoms and one N atom of the tridentate Schiff base ligand, and by two O atoms of the bidentate hydro­xamate co-ligand, defining a distorted octa­hedral VO(ONO)(OO) geometry.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805012602/er6010sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805012602/er6010Isup2.hkl
Contains datablock I

CCDC reference: 271868

Key indicators

  • Single-crystal X-ray study
  • T = 296 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.046
  • wR factor = 0.131
  • Data-to-parameter ratio = 16.5

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT230_ALERT_2_B Hirshfeld Test Diff for N1 - C8 .. 8.73 su PLAT230_ALERT_2_B Hirshfeld Test Diff for C6 - C7 .. 7.37 su
Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 3.83 PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) V1 - N1 .. 8.99 su
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 2 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: RAPID-AUTO (Rigaku Corporation, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.

{2-[(2-Hydroxyphenyl)iminomethyl]phenolato}(N-oxido-N– phenylbenzamide)oxovanadium(V) top
Crystal data top
[V(C13H9NO2)(C13H10NO2)O]Z = 2
Mr = 490.37F(000) = 504
Triclinic, P1Dx = 1.452 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 9.0795 (18) ÅCell parameters from 9503 reflections
b = 10.134 (2) Åθ = 3.0–27.5°
c = 12.624 (3) ŵ = 0.48 mm1
α = 104.84 (3)°T = 296 K
β = 91.11 (3)°Prism, dark red
γ = 92.08 (3)°0.38 × 0.26 × 0.18 mm
V = 1121.6 (4) Å3
Data collection top
Rigaku R-AXIS RAPID
diffractometer
5076 independent reflections
Radiation source: fine-focus sealed tube4098 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.017
Detector resolution: 10 pixels mm-1θmax = 27.5°, θmin = 3.0°
ω scansh = 1111
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
k = 1313
Tmin = 0.837, Tmax = 0.918l = 1616
11056 measured reflections
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.046Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.131H-atom parameters constrained
S = 1.05 w = 1/[σ2(Fo2) + (0.0777P)2 + 0.2634P]
where P = (Fo2 + 2Fc2)/3
5076 reflections(Δ/σ)max < 0.001
307 parametersΔρmax = 0.79 e Å3
0 restraintsΔρmin = 0.21 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
V10.16858 (4)0.56565 (3)0.30978 (3)0.04168 (13)
N10.2455 (2)0.5306 (2)0.45664 (15)0.0496 (4)
N20.28598 (18)0.66453 (18)0.14005 (14)0.0418 (4)
O10.00463 (17)0.55481 (18)0.32440 (13)0.0552 (4)
O20.19691 (19)0.37817 (15)0.25512 (12)0.0532 (4)
O30.2169 (2)0.74517 (17)0.39586 (15)0.0619 (4)
O40.15782 (15)0.62172 (16)0.17924 (12)0.0473 (3)
O50.39990 (16)0.58041 (16)0.26335 (12)0.0485 (4)
C10.1614 (2)0.2777 (2)0.30036 (17)0.0441 (4)
C20.1286 (3)0.1467 (2)0.2345 (2)0.0540 (5)
C30.0984 (3)0.0415 (3)0.2814 (2)0.0650 (7)
C40.0988 (3)0.0613 (3)0.3933 (3)0.0716 (7)
C50.1322 (3)0.1878 (3)0.4596 (2)0.0654 (7)
C60.1655 (2)0.2986 (2)0.41535 (19)0.0494 (5)
C70.2221 (3)0.4234 (3)0.48754 (19)0.0549 (5)
C80.3206 (2)0.6507 (2)0.5286 (2)0.0508 (5)
C90.4075 (3)0.6600 (3)0.6213 (2)0.0630 (6)
C100.4711 (3)0.7854 (3)0.6765 (2)0.0728 (8)
C110.4469 (3)0.8998 (3)0.6381 (3)0.0761 (8)
C120.3617 (3)0.8898 (3)0.5447 (3)0.0695 (7)
C130.2988 (2)0.7638 (2)0.4890 (2)0.0534 (5)
C140.2656 (2)0.7317 (2)0.05444 (16)0.0386 (4)
C150.1952 (2)0.6604 (2)0.04313 (18)0.0505 (5)
C160.1775 (3)0.7251 (3)0.1259 (2)0.0657 (7)
C170.2287 (3)0.8571 (3)0.1121 (2)0.0668 (7)
C180.2976 (3)0.9273 (3)0.0157 (2)0.0632 (7)
C190.3164 (3)0.8648 (2)0.0695 (2)0.0510 (5)
C200.4110 (2)0.6370 (2)0.18654 (16)0.0401 (4)
C210.5563 (2)0.67443 (19)0.14937 (17)0.0393 (4)
C220.5899 (2)0.6618 (2)0.04077 (17)0.0433 (4)
C230.7306 (3)0.6947 (2)0.0134 (2)0.0518 (5)
C240.8373 (3)0.7422 (3)0.0947 (2)0.0614 (6)
C250.8060 (3)0.7541 (3)0.2021 (2)0.0650 (7)
C260.6658 (2)0.7196 (3)0.23029 (19)0.0523 (5)
H20.12710.13080.15850.065*
H30.07720.04560.23650.078*
H40.07620.01140.42350.086*
H50.13300.20110.53530.078*
H70.24250.42550.56050.066*
H90.42320.58280.64640.076*
H100.53000.79310.73910.087*
H110.48880.98420.67600.091*
H120.34650.96680.51930.083*
H150.16070.57050.05250.061*
H160.13030.67860.19160.079*
H170.21670.89960.16870.080*
H180.33191.01710.00700.076*
H190.36260.91230.13530.061*
H220.51740.63100.01400.052*
H230.75320.68490.05970.062*
H240.93140.76630.07640.074*
H250.87890.78550.25640.078*
H260.64500.72660.30330.063*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
V10.0458 (2)0.0453 (2)0.0379 (2)0.00084 (14)0.00479 (13)0.01782 (15)
N10.0525 (10)0.0579 (11)0.0429 (10)0.0084 (8)0.0137 (8)0.0192 (8)
N20.0376 (8)0.0532 (10)0.0409 (9)0.0012 (7)0.0008 (6)0.0239 (8)
O10.0497 (9)0.0662 (10)0.0531 (9)0.0017 (7)0.0080 (7)0.0216 (8)
O20.0731 (10)0.0459 (8)0.0416 (8)0.0000 (7)0.0176 (7)0.0123 (6)
O30.0665 (10)0.0475 (9)0.0702 (11)0.0029 (7)0.0066 (9)0.0132 (8)
O40.0375 (7)0.0644 (9)0.0485 (8)0.0035 (6)0.0012 (6)0.0306 (7)
O50.0438 (8)0.0615 (9)0.0495 (8)0.0003 (6)0.0002 (6)0.0316 (7)
C10.0458 (10)0.0427 (10)0.0449 (11)0.0007 (8)0.0106 (8)0.0126 (9)
C20.0578 (13)0.0515 (12)0.0486 (12)0.0028 (10)0.0070 (10)0.0060 (10)
C30.0701 (16)0.0457 (12)0.0756 (18)0.0070 (11)0.0155 (13)0.0093 (12)
C40.0861 (19)0.0565 (15)0.0788 (19)0.0002 (13)0.0235 (15)0.0284 (14)
C50.0780 (17)0.0718 (17)0.0528 (14)0.0044 (13)0.0146 (12)0.0267 (13)
C60.0504 (11)0.0490 (12)0.0473 (12)0.0028 (9)0.0088 (9)0.0088 (9)
C70.0637 (14)0.0597 (14)0.0442 (12)0.0035 (11)0.0120 (10)0.0178 (10)
C80.0469 (11)0.0493 (12)0.0540 (13)0.0009 (9)0.0123 (9)0.0086 (10)
C90.0627 (14)0.0673 (16)0.0620 (15)0.0096 (12)0.0132 (12)0.0204 (13)
C100.0569 (15)0.096 (2)0.0604 (16)0.0025 (14)0.0017 (12)0.0118 (15)
C110.0725 (17)0.0653 (17)0.0786 (19)0.0143 (13)0.0084 (14)0.0003 (15)
C120.0711 (16)0.0483 (13)0.086 (2)0.0064 (11)0.0063 (14)0.0127 (13)
C130.0479 (11)0.0487 (12)0.0609 (14)0.0015 (9)0.0054 (10)0.0090 (10)
C140.0385 (9)0.0445 (10)0.0375 (10)0.0054 (8)0.0036 (7)0.0186 (8)
C150.0518 (12)0.0545 (12)0.0466 (12)0.0010 (9)0.0058 (9)0.0163 (10)
C160.0691 (16)0.0866 (19)0.0459 (13)0.0067 (14)0.0094 (11)0.0253 (13)
C170.0660 (15)0.0871 (19)0.0646 (16)0.0148 (14)0.0060 (12)0.0488 (15)
C180.0656 (15)0.0529 (13)0.0834 (19)0.0050 (11)0.0097 (13)0.0392 (13)
C190.0570 (12)0.0432 (11)0.0539 (13)0.0040 (9)0.0011 (10)0.0145 (10)
C200.0421 (10)0.0423 (10)0.0382 (10)0.0010 (8)0.0015 (8)0.0144 (8)
C210.0383 (9)0.0381 (9)0.0445 (10)0.0034 (7)0.0027 (8)0.0159 (8)
C220.0474 (11)0.0398 (10)0.0427 (11)0.0028 (8)0.0048 (8)0.0100 (8)
C230.0565 (13)0.0496 (12)0.0523 (13)0.0073 (10)0.0188 (10)0.0165 (10)
C240.0416 (11)0.0711 (16)0.0779 (17)0.0008 (10)0.0112 (11)0.0308 (13)
C250.0448 (12)0.0887 (19)0.0666 (16)0.0123 (12)0.0088 (11)0.0320 (14)
C260.0485 (12)0.0664 (14)0.0457 (12)0.0050 (10)0.0030 (9)0.0223 (11)
Geometric parameters (Å, º) top
V1—N12.087 (2)C10—C111.389 (5)
V1—O11.5901 (16)C10—H100.9300
V1—O21.8769 (16)C11—C121.377 (4)
V1—O31.8958 (18)C11—H110.9300
V1—O41.8776 (15)C12—C131.386 (3)
V1—O52.2016 (16)C12—H120.9300
N1—C71.257 (3)C14—C151.388 (3)
N1—C81.457 (3)C14—C191.375 (3)
N2—C201.338 (3)C15—C161.379 (3)
O2—C11.322 (2)C15—H150.9300
O3—C131.347 (3)C16—C171.367 (4)
O4—N21.372 (2)C16—H160.9300
O5—C201.250 (2)C17—C181.369 (4)
N2—C141.430 (2)C17—H170.9300
C1—C21.393 (3)C18—C191.391 (3)
C1—C61.412 (3)C18—H180.9300
C2—C31.369 (3)C19—H190.9300
C2—H20.9300C20—C211.478 (3)
C3—C41.375 (4)C21—C221.385 (3)
C3—H30.9300C21—C261.389 (3)
C4—C51.360 (4)C22—C231.381 (3)
C4—H40.9300C22—H220.9300
C5—C61.402 (3)C23—C241.379 (4)
C5—H50.9300C23—H230.9300
C6—C71.428 (3)C24—C251.366 (4)
C7—H70.9300C24—H240.9300
C8—C91.379 (4)C25—C261.385 (3)
C8—C131.382 (3)C25—H250.9300
C9—C101.383 (4)C26—H260.9300
C9—H90.9300
N1—V1—O588.02 (7)C9—C10—H10120.1
O1—V1—N1100.62 (8)C9—C10—C11119.8 (3)
O1—V1—O297.36 (9)C10—C9—H9120.4
O1—V1—O3101.64 (9)C10—C11—H11119.6
O1—V1—O495.85 (8)C11—C10—H10120.1
O1—V1—O5171.21 (7)C11—C12—H12120.4
O2—V1—N183.17 (8)C11—C12—C13119.3 (3)
O2—V1—O3155.16 (8)C12—C11—H11119.6
O2—V1—O4101.03 (7)C12—C11—C10120.8 (3)
O2—V1—O581.98 (7)C13—O3—V1119.84 (15)
O3—V1—N177.75 (8)C13—C8—N1109.9 (2)
O3—V1—O581.61 (8)C13—C12—H12120.4
O4—V1—N1162.36 (7)C14—C15—H15120.6
O4—V1—O392.85 (8)C14—C19—C18118.7 (2)
O4—V1—O575.75 (6)C14—C19—H19120.6
N1—C7—C6122.7 (2)C15—C14—N2119.12 (18)
N1—C7—H7118.6C15—C16—H16119.7
N2—O4—V1118.19 (11)C16—C15—C14118.9 (2)
N2—C20—C21120.99 (17)C16—C15—H15120.6
O2—C1—C2120.0 (2)C16—C17—C18120.5 (2)
O2—C1—C6121.04 (19)C16—C17—H17119.8
O3—C13—C8117.4 (2)C17—C16—C15120.5 (2)
O3—C13—C12122.8 (2)C17—C16—H16119.7
O4—N2—C14114.62 (15)C17—C18—C19120.3 (2)
O5—C20—N2117.51 (18)C17—C18—H18119.8
O5—C20—C21121.49 (17)C18—C17—H17119.8
C1—O2—V1128.23 (13)C18—C19—H19120.6
C1—C2—H2120.0C19—C14—N2119.77 (19)
C1—C6—C7122.0 (2)C19—C14—C15121.11 (19)
C2—C1—C6118.8 (2)C19—C18—H18119.8
C2—C3—H3119.2C20—N2—O4115.83 (16)
C2—C3—C4121.6 (2)C20—N2—C14129.55 (17)
C3—C2—H2120.0C20—O5—V1110.96 (12)
C3—C2—C1120.0 (2)C21—C22—H22119.8
C3—C4—H4120.2C21—C26—H26120.0
C4—C3—H3119.2C22—C21—C26119.31 (19)
C4—C5—H5119.6C22—C21—C20124.34 (18)
C4—C5—C6120.9 (2)C22—C23—H23120.1
C5—C4—H4120.2C23—C22—C21120.3 (2)
C5—C4—C3119.6 (3)C23—C22—H22119.8
C5—C6—C1119.1 (2)C23—C24—H24119.7
C5—C6—C7118.3 (2)C24—C23—C22119.8 (2)
C6—C5—H5119.6C24—C23—H23120.1
C6—C7—H7118.6C24—C25—C26120.2 (2)
C7—N1—C8121.1 (2)C24—C25—H25119.9
C7—N1—V1125.90 (18)C25—C24—C23120.5 (2)
C8—N1—V1112.75 (15)C25—C24—H24119.7
C8—C9—H9120.4C25—C26—C21119.9 (2)
C8—C9—C10119.2 (3)C25—C26—H26120.0
C8—C13—C12119.7 (2)C26—C21—C20116.28 (18)
C9—C8—C13121.1 (2)C26—C25—H25119.9
C9—C8—N1128.9 (2)
O1—V1—O2—C156.1 (2)C7—N1—C8—C918.3 (3)
O4—V1—O2—C1153.55 (18)V1—N1—C8—C9167.0 (2)
O3—V1—O2—C183.7 (3)C7—N1—C8—C13164.2 (2)
N1—V1—O2—C143.80 (19)V1—N1—C8—C1310.5 (2)
O5—V1—O2—C1132.75 (19)C13—C8—C9—C101.3 (4)
O1—V1—O3—C13112.16 (18)N1—C8—C9—C10178.6 (2)
O2—V1—O3—C1327.0 (3)C8—C9—C10—C110.0 (4)
O4—V1—O3—C13151.28 (17)C9—C10—C11—C120.8 (5)
N1—V1—O3—C1313.66 (17)C10—C11—C12—C130.4 (5)
O5—V1—O3—C1376.13 (17)V1—O3—C13—C812.0 (3)
O1—V1—O4—N2170.78 (14)V1—O3—C13—C12167.4 (2)
O2—V1—O4—N290.53 (15)C9—C8—C13—O3177.6 (2)
O3—V1—O4—N268.77 (15)N1—C8—C13—O30.2 (3)
N1—V1—O4—N211.8 (3)C9—C8—C13—C121.8 (4)
O5—V1—O4—N211.84 (13)N1—C8—C13—C12179.6 (2)
O2—V1—O5—C20113.75 (15)C11—C12—C13—O3178.4 (3)
O4—V1—O5—C2010.15 (14)C11—C12—C13—C80.9 (4)
O3—V1—O5—C2084.97 (15)C20—N2—C14—C1961.3 (3)
N1—V1—O5—C20162.87 (15)O4—N2—C14—C19119.1 (2)
O1—V1—N1—C761.7 (2)C20—N2—C14—C15118.2 (2)
O2—V1—N1—C734.52 (19)O4—N2—C14—C1561.3 (2)
O4—V1—N1—C7139.5 (2)C19—C14—C15—C160.3 (3)
O3—V1—N1—C7161.5 (2)N2—C14—C15—C16179.2 (2)
O5—V1—N1—C7116.68 (19)C14—C15—C16—C170.2 (4)
O1—V1—N1—C8112.64 (15)C15—C16—C17—C180.4 (4)
O2—V1—N1—C8151.11 (14)C16—C17—C18—C190.1 (4)
O4—V1—N1—C846.1 (3)C15—C14—C19—C180.6 (3)
O3—V1—N1—C812.89 (14)N2—C14—C19—C18178.9 (2)
O5—V1—N1—C868.95 (14)C17—C18—C19—C140.4 (4)
V1—O4—N2—C2012.8 (2)V1—O5—C20—N26.6 (2)
V1—O4—N2—C14167.57 (13)V1—O5—C20—C21172.38 (15)
V1—O2—C1—C2151.52 (17)O4—N2—C20—O52.8 (3)
V1—O2—C1—C632.7 (3)C14—N2—C20—O5177.71 (19)
O2—C1—C2—C3177.0 (2)O4—N2—C20—C21178.29 (17)
C6—C1—C2—C31.1 (3)C14—N2—C20—C211.3 (3)
C1—C2—C3—C40.4 (4)O5—C20—C21—C22141.1 (2)
C2—C3—C4—C51.1 (4)N2—C20—C21—C2240.0 (3)
C3—C4—C5—C60.4 (4)O5—C20—C21—C2636.1 (3)
C4—C5—C6—C11.1 (4)N2—C20—C21—C26142.8 (2)
C4—C5—C6—C7170.3 (3)C26—C21—C22—C230.5 (3)
O2—C1—C6—C5177.7 (2)C20—C21—C22—C23177.60 (19)
C2—C1—C6—C51.8 (3)C21—C22—C23—C240.9 (3)
O2—C1—C6—C76.6 (3)C22—C23—C24—C251.4 (4)
C2—C1—C6—C7169.2 (2)C23—C24—C25—C260.6 (4)
C8—N1—C7—C6172.1 (2)C24—C25—C26—C210.9 (4)
V1—N1—C7—C614.0 (3)C22—C21—C26—C251.4 (3)
C5—C6—C7—N1175.0 (2)C20—C21—C26—C25178.7 (2)
C1—C6—C7—N113.9 (4)
 

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