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The title compound, [Co(C14H12NO2)2]NO3·H2O, is the first structurally characterized mononuclear complex of the mono­anionic tridentate N-(2-hydroxy­methyl­phen­yl)­salycylidene­iminate ligand. The Co atom has an octa­hedral environment formed by two ligands with meridional coordination.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806050938/ya2034sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806050938/ya2034Isup2.hkl
Contains datablock I

CCDC reference: 634086

Key indicators

  • Single-crystal X-ray study
  • T = 303 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.036
  • wR factor = 0.096
  • Data-to-parameter ratio = 15.9

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for N3
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 1 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 0 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 1 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: MSC/AFC Diffractometer Control Software (Molecular Structure Corporation, 1991); cell refinement: MSC/AFC Diffractometer Control Software; data reduction: CrystalStructure (Rigaku/MSC, 2006); program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Version 1.076; Farrugia, 1997); software used to prepare material for publication: CrystalStructure.

Bis{2-[2-(hydroxymethyl)phenyliminomethyl]phenolato}cobalt(III) nitrate monohydrate top
Crystal data top
[Co(C14H12NO2)2]NO3·H2OZ = 2
Mr = 591.46F(000) = 612.00
Triclinic, P1Dx = 1.503 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71069 Å
a = 9.5409 (18) ÅCell parameters from 25 reflections
b = 12.257 (3) Åθ = 10.2–11.4°
c = 13.477 (4) ŵ = 0.71 mm1
α = 115.68 (2)°T = 303 K
β = 97.30 (2)°Prism, dark brown
γ = 106.18 (2)°0.50 × 0.50 × 0.40 mm
V = 1307.0 (7) Å3
Data collection top
Rigaku AFC-5S
diffractometer
Rint = 0.023
ω–2θ scansθmax = 27.5°
Absorption correction: ψ scan
(North et al., 1968)
h = 1211
Tmin = 0.716, Tmax = 0.751k = 015
6286 measured reflectionsl = 1715
6009 independent reflections3 standard reflections every 150 reflections
4269 reflections with I > 2σ(I) intensity decay: 18.8%
Refinement top
Refinement on F2 w = 1/[σ2(Fo2) + (0.04P)2 + 0.3547P]
where P = (Fo2 + 2Fc2)/3
R[F2 > 2σ(F2)] = 0.036(Δ/σ)max < 0.001
wR(F2) = 0.096Δρmax = 0.37 e Å3
S = 1.03Δρmin = 0.31 e Å3
6009 reflectionsExtinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
379 parametersExtinction coefficient: 0.0079 (9)
H atoms treated by a mixture of independent and constrained refinement
Special details top

Refinement. Refinement was performed using all reflections. The weighted R-factor (wR) and goodness of fit (S) are based on F2. R-factor (gt) are based on F. The threshold expression of F2 > 2.0 σ(F2) is used only for calculating R-factor (gt).

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Co10.41501 (3)0.15369 (3)0.27058 (3)0.02662 (10)
O10.40968 (19)0.10718 (16)0.39179 (14)0.0322 (3)
O20.40832 (18)0.18381 (15)0.14637 (13)0.0338 (3)
O30.51980 (18)0.03631 (16)0.20190 (15)0.0333 (3)
O40.33306 (18)0.27768 (15)0.34317 (13)0.0333 (3)
O50.1573 (2)0.1050 (2)0.65630 (18)0.0602 (5)
O60.3631 (2)0.0686 (2)0.68382 (18)0.0552 (5)
O70.2176 (3)0.0622 (3)0.7906 (2)0.0893 (8)
O80.1562 (2)0.0697 (2)0.4406 (2)0.0575 (5)
N10.6149 (2)0.28906 (18)0.35487 (16)0.0314 (4)
N20.2136 (2)0.01637 (17)0.18451 (15)0.0283 (3)
N30.2463 (2)0.0784 (2)0.71073 (19)0.0429 (5)
C10.5072 (2)0.2071 (2)0.5064 (2)0.0393 (5)
C20.6685 (2)0.2314 (2)0.50317 (19)0.0335 (5)
C30.7690 (2)0.2131 (2)0.5723 (2)0.0420 (5)
C40.9176 (3)0.2344 (2)0.5667 (2)0.0469 (6)
C50.9661 (2)0.2734 (2)0.4913 (2)0.0456 (6)
C60.8678 (2)0.2930 (2)0.4218 (2)0.0408 (5)
C70.7200 (2)0.2734 (2)0.42873 (19)0.0316 (4)
C80.6599 (2)0.3900 (2)0.3413 (2)0.0390 (5)
C90.5776 (2)0.4091 (2)0.2574 (2)0.0387 (5)
C100.6226 (3)0.5332 (2)0.2664 (2)0.0563 (7)
C110.5486 (3)0.5545 (3)0.1869 (3)0.0627 (8)
C120.4300 (3)0.4511 (2)0.0943 (2)0.0523 (7)
C130.3839 (3)0.3283 (2)0.0811 (2)0.0408 (5)
C140.4556 (2)0.3034 (2)0.1629 (2)0.0338 (5)
C150.4326 (2)0.0799 (2)0.0933 (2)0.0366 (5)
C160.3011 (2)0.1649 (2)0.10882 (19)0.0323 (4)
C170.2845 (3)0.2906 (2)0.0839 (2)0.0432 (6)
C180.1625 (3)0.3684 (2)0.0979 (2)0.0484 (6)
C190.0541 (3)0.3211 (2)0.1376 (2)0.0455 (6)
C200.0682 (2)0.1951 (2)0.1654 (2)0.0374 (5)
C210.1921 (2)0.1168 (2)0.15179 (18)0.0294 (4)
C220.0967 (2)0.0427 (2)0.15892 (19)0.0321 (4)
C230.0959 (2)0.1713 (2)0.1952 (2)0.0329 (4)
C240.0291 (3)0.1852 (2)0.1413 (2)0.0445 (6)
C250.0335 (3)0.3064 (3)0.1720 (2)0.0534 (7)
C260.0851 (3)0.4156 (2)0.2601 (2)0.0503 (6)
C270.2059 (3)0.4053 (2)0.3167 (2)0.0422 (5)
C280.2152 (2)0.2830 (2)0.28543 (19)0.0318 (4)
H10.324 (4)0.090 (3)0.400 (3)0.075 (11)*
H20.48800.17800.56150.047*
H30.48720.28670.52900.047*
H40.73660.18630.62320.050*
H50.98450.22240.61400.056*
H61.06540.28660.48700.055*
H70.90070.31920.37080.049*
H80.75330.45550.38980.047*
H90.70410.60200.32750.068*
H100.57780.63750.19490.075*
H110.38050.46550.03980.063*
H120.30450.26050.01760.049*
H130.546 (4)0.007 (3)0.242 (3)0.096 (14)*
H140.49710.12730.06320.044*
H150.39540.05570.03840.044*
H160.35730.32320.05720.052*
H170.15310.45280.08060.058*
H180.02920.37430.14580.055*
H190.00460.16320.19300.045*
H200.00530.02740.11320.038*
H210.11000.11130.08410.053*
H220.11480.31510.13420.064*
H230.08230.49790.28120.060*
H240.28280.48020.37660.051*
H250.063 (2)0.014 (3)0.395 (2)0.091 (12)*
H260.170 (4)0.085 (3)0.5147 (18)0.088 (12)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Co10.02532 (16)0.02468 (15)0.02824 (16)0.00886 (11)0.00571 (11)0.01248 (12)
O10.0280 (8)0.0354 (8)0.0317 (8)0.0086 (7)0.0072 (6)0.0176 (7)
O20.0394 (9)0.0321 (8)0.0308 (8)0.0134 (7)0.0092 (6)0.0165 (7)
O30.0301 (8)0.0322 (8)0.0367 (9)0.0133 (6)0.0090 (6)0.0151 (7)
O40.0335 (8)0.0289 (8)0.0314 (8)0.0130 (6)0.0046 (6)0.0102 (6)
O50.0499 (11)0.0875 (15)0.0570 (12)0.0414 (11)0.0122 (9)0.0383 (11)
O60.0420 (10)0.0770 (14)0.0705 (13)0.0344 (10)0.0261 (10)0.0463 (12)
O70.0920 (19)0.156 (2)0.0923 (18)0.0857 (19)0.0591 (16)0.089 (2)
O80.0371 (11)0.0808 (15)0.0560 (13)0.0164 (10)0.0180 (10)0.0369 (12)
N10.0292 (9)0.0301 (9)0.0320 (10)0.0091 (7)0.0045 (7)0.0153 (8)
N20.0280 (9)0.0260 (9)0.0273 (9)0.0105 (7)0.0063 (7)0.0104 (7)
N30.0361 (11)0.0467 (12)0.0421 (12)0.0184 (9)0.0087 (9)0.0174 (10)
C10.0382 (13)0.0434 (14)0.0275 (11)0.0100 (11)0.0066 (10)0.0140 (10)
C20.0320 (12)0.0309 (11)0.0299 (11)0.0080 (9)0.0013 (9)0.0129 (9)
C30.0441 (14)0.0412 (13)0.0357 (13)0.0125 (11)0.0021 (11)0.0193 (11)
C40.0412 (14)0.0469 (15)0.0452 (15)0.0177 (12)0.0035 (11)0.0199 (12)
C50.0304 (12)0.0473 (15)0.0498 (15)0.0135 (11)0.0033 (11)0.0187 (12)
C60.0343 (12)0.0410 (13)0.0426 (14)0.0104 (10)0.0073 (10)0.0200 (11)
C70.0294 (11)0.0276 (11)0.0300 (11)0.0082 (9)0.0013 (9)0.0110 (9)
C80.0332 (12)0.0344 (12)0.0440 (14)0.0070 (10)0.0042 (10)0.0201 (11)
C90.0407 (13)0.0315 (12)0.0444 (14)0.0092 (10)0.0107 (11)0.0221 (11)
C100.0566 (17)0.0417 (15)0.0645 (19)0.0064 (13)0.0040 (14)0.0318 (14)
C110.074 (2)0.0447 (16)0.076 (2)0.0190 (15)0.0112 (17)0.0405 (16)
C120.0635 (18)0.0565 (17)0.0590 (18)0.0301 (15)0.0182 (15)0.0420 (15)
C130.0454 (14)0.0474 (14)0.0409 (13)0.0230 (12)0.0152 (11)0.0269 (12)
C140.0386 (12)0.0361 (12)0.0347 (12)0.0174 (10)0.0165 (10)0.0204 (10)
C150.0355 (12)0.0364 (12)0.0340 (12)0.0170 (10)0.0110 (10)0.0114 (10)
C160.0340 (12)0.0285 (11)0.0296 (11)0.0143 (9)0.0042 (9)0.0101 (9)
C170.0449 (14)0.0337 (13)0.0434 (14)0.0185 (11)0.0054 (11)0.0121 (11)
C180.0564 (17)0.0246 (12)0.0511 (16)0.0122 (11)0.0023 (13)0.0129 (11)
C190.0465 (15)0.0324 (13)0.0444 (14)0.0031 (11)0.0082 (12)0.0162 (11)
C200.0334 (12)0.0315 (12)0.0378 (13)0.0088 (9)0.0071 (10)0.0120 (10)
C210.0312 (11)0.0252 (10)0.0250 (10)0.0097 (8)0.0028 (8)0.0085 (8)
C220.0286 (11)0.0305 (11)0.0302 (11)0.0116 (9)0.0047 (9)0.0098 (9)
C230.0345 (12)0.0347 (12)0.0322 (11)0.0181 (10)0.0085 (9)0.0158 (10)
C240.0458 (15)0.0474 (15)0.0356 (13)0.0250 (12)0.0054 (11)0.0136 (11)
C250.0670 (19)0.0647 (19)0.0465 (16)0.0458 (16)0.0137 (14)0.0301 (15)
C260.0687 (19)0.0444 (15)0.0556 (17)0.0374 (14)0.0228 (15)0.0280 (14)
C270.0499 (15)0.0323 (12)0.0464 (14)0.0198 (11)0.0166 (12)0.0177 (11)
C280.0365 (12)0.0334 (11)0.0314 (11)0.0175 (10)0.0153 (9)0.0167 (9)
Geometric parameters (Å, º) top
Co1—O11.951 (2)C19—C201.383 (4)
Co1—O21.861 (2)C20—C211.389 (3)
Co1—O31.9516 (19)C22—C231.436 (3)
Co1—O41.8564 (18)C23—C241.408 (4)
Co1—N11.9322 (15)C23—C281.409 (2)
Co1—N21.9519 (14)C24—C251.373 (5)
O1—C11.453 (2)C25—C261.385 (3)
O2—C141.314 (3)C26—C271.367 (4)
O3—C151.445 (2)C27—C281.403 (4)
O4—C281.318 (3)O1—H10.82 (3)
O5—N31.252 (4)O3—H130.81 (5)
O6—N31.235 (3)O8—H250.90 (2)
O7—N31.226 (4)O8—H260.92 (2)
N1—C71.433 (3)C1—H20.970
N1—C81.292 (4)C1—H30.970
N2—C211.438 (3)C3—H40.930
N2—C221.291 (3)C4—H50.930
C1—C21.495 (3)C5—H60.930
C2—C31.382 (4)C6—H70.930
C2—C71.395 (4)C8—H80.930
C3—C41.386 (4)C10—H90.930
C4—C51.376 (5)C11—H100.930
C5—C61.383 (4)C12—H110.930
C6—C71.385 (3)C13—H120.930
C8—C91.433 (4)C15—H140.970
C9—C101.406 (4)C15—H150.970
C9—C141.417 (2)C17—H160.930
C10—C111.366 (6)C18—H170.930
C11—C121.384 (3)C19—H180.930
C12—C131.367 (4)C20—H190.930
C13—C141.411 (4)C22—H200.930
C15—C161.494 (3)C24—H210.930
C16—C171.384 (4)C25—H220.930
C16—C211.401 (3)C26—H230.930
C17—C181.376 (4)C27—H240.930
C18—C191.377 (4)
O1—Co1—O2175.15 (5)C22—C23—C24119.00 (18)
O1—Co1—O390.42 (9)C22—C23—C28121.5 (2)
O1—Co1—O489.95 (8)C24—C23—C28119.4 (2)
O1—Co1—N192.18 (8)C23—C24—C25121.0 (2)
O1—Co1—N288.05 (8)C24—C25—C26119.0 (3)
O2—Co1—O387.86 (9)C25—C26—C27121.5 (3)
O2—Co1—O492.18 (8)C26—C27—C28120.7 (2)
O2—Co1—N192.24 (8)O4—C28—C23123.1 (2)
O2—Co1—N287.52 (8)O4—C28—C27118.62 (17)
O3—Co1—O4174.67 (5)C23—C28—C27118.3 (2)
O3—Co1—N186.60 (7)Co1—O1—H1110 (3)
O3—Co1—N293.06 (7)C1—O1—H1104 (2)
O4—Co1—N188.07 (7)Co1—O3—H13113 (3)
O4—Co1—N292.26 (7)C15—O3—H13103 (2)
N1—Co1—N2179.60 (8)H25—O8—H26113 (3)
Co1—O1—C1116.69 (17)O1—C1—H2110.2
Co1—O2—C14120.60 (14)O1—C1—H3110.2
Co1—O3—C15116.07 (15)C2—C1—H2110.2
Co1—O4—C28120.86 (12)C2—C1—H3110.2
Co1—N1—C7119.35 (16)H2—C1—H3108.5
Co1—N1—C8121.75 (18)C2—C3—H4119.7
C7—N1—C8118.77 (18)C4—C3—H4119.7
Co1—N2—C21120.01 (15)C3—C4—H5120.0
Co1—N2—C22121.38 (15)C5—C4—H5120.0
C21—N2—C22118.57 (16)C4—C5—H6119.8
O5—N3—O6119.9 (2)C6—C5—H6119.8
O5—N3—O7120.0 (2)C5—C6—H7120.2
O6—N3—O7120.1 (3)C7—C6—H7120.2
O1—C1—C2107.52 (19)N1—C8—H8117.4
C1—C2—C3121.6 (2)C9—C8—H8117.4
C1—C2—C7119.6 (2)C9—C10—H9119.4
C3—C2—C7118.8 (2)C11—C10—H9119.4
C2—C3—C4120.7 (3)C10—C11—H10120.3
C3—C4—C5120.0 (3)C12—C11—H10120.4
C4—C5—C6120.3 (2)C11—C12—H11119.2
C5—C6—C7119.5 (3)C13—C12—H11119.2
N1—C7—C2118.8 (2)C12—C13—H12119.7
N1—C7—C6120.5 (2)C14—C13—H12119.7
C2—C7—C6120.7 (2)O3—C15—H14109.7
N1—C8—C9125.28 (19)O3—C15—H15109.7
C8—C9—C10119.5 (2)C16—C15—H14109.7
C8—C9—C14120.9 (2)C16—C15—H15109.7
C10—C9—C14119.5 (2)H14—C15—H15108.2
C9—C10—C11121.2 (2)C16—C17—H16119.3
C10—C11—C12119.3 (3)C18—C17—H16119.3
C11—C12—C13121.6 (3)C17—C18—H17120.1
C12—C13—C14120.7 (2)C19—C18—H17120.1
O2—C14—C9123.5 (2)C18—C19—H18119.7
O2—C14—C13118.61 (17)C20—C19—H18119.7
C9—C14—C13117.8 (2)C19—C20—H19120.3
O3—C15—C16110.0 (2)C21—C20—H19120.3
C15—C16—C17121.8 (2)N2—C22—H20117.3
C15—C16—C21119.9 (2)C23—C22—H20117.3
C17—C16—C21118.3 (2)C23—C24—H21119.5
C16—C17—C18121.3 (2)C25—C24—H21119.5
C17—C18—C19119.8 (2)C24—C25—H22120.5
C18—C19—C20120.6 (2)C26—C25—H22120.5
C19—C20—C21119.3 (2)C25—C26—H23119.3
N2—C21—C16118.6 (2)C27—C26—H23119.2
N2—C21—C20120.8 (2)C26—C27—H24119.6
C16—C21—C20120.6 (2)C28—C27—H24119.6
N2—C22—C23125.40 (17)
O1—Co1—O3—C15110.13 (19)O1—C1—C2—C759.5 (3)
O3—Co1—O1—C1109.69 (17)C1—C2—C3—C4179.1 (2)
O1—Co1—O4—C28130.71 (19)C1—C2—C7—N11.6 (2)
O4—Co1—O1—C164.99 (18)C1—C2—C7—C6178.17 (19)
O1—Co1—N1—C731.68 (18)C3—C2—C7—N1178.39 (18)
O1—Co1—N1—C8152.6 (2)C3—C2—C7—C61.8 (3)
N1—Co1—O1—C123.08 (18)C7—C2—C3—C40.9 (3)
O1—Co1—N2—C2160.29 (18)C2—C3—C4—C50.4 (3)
O1—Co1—N2—C22117.5 (2)C3—C4—C5—C60.8 (3)
N2—Co1—O1—C1157.25 (18)C4—C5—C6—C70.1 (2)
O2—Co1—O3—C1565.34 (19)C5—C6—C7—N1177.9 (2)
O3—Co1—O2—C14129.07 (19)C5—C6—C7—C21.4 (3)
O2—Co1—O4—C2844.94 (19)N1—C8—C9—C10166.9 (2)
O4—Co1—O2—C1445.60 (19)N1—C8—C9—C1415.8 (4)
O2—Co1—N1—C7146.34 (17)C8—C9—C10—C11178.7 (3)
O2—Co1—N1—C829.4 (2)C8—C9—C14—O21.1 (4)
N1—Co1—O2—C1442.55 (19)C8—C9—C14—C13177.4 (2)
O2—Co1—N2—C21117.75 (18)C10—C9—C14—O2178.4 (2)
O2—Co1—N2—C2264.5 (2)C10—C9—C14—C130.1 (3)
N2—Co1—O2—C14137.77 (19)C14—C9—C10—C111.4 (5)
O3—Co1—N1—C758.62 (18)C9—C10—C11—C121.7 (5)
O3—Co1—N1—C8117.1 (2)C10—C11—C12—C130.7 (5)
N1—Co1—O3—C15157.7 (2)C11—C12—C13—C140.7 (5)
O3—Co1—N2—C2130.03 (19)C12—C13—C14—O2179.5 (2)
O3—Co1—N2—C22152.2 (2)C12—C13—C14—C90.9 (4)
N2—Co1—O3—C1522.1 (2)O3—C15—C16—C17119.5 (2)
O4—Co1—N1—C7121.55 (18)O3—C15—C16—C2159.2 (3)
O4—Co1—N1—C862.7 (2)C15—C16—C17—C18179.6 (2)
N1—Co1—O4—C28137.1 (2)C15—C16—C21—N22.6 (3)
O4—Co1—N2—C21150.16 (18)C15—C16—C21—C20179.2 (2)
O4—Co1—N2—C2227.6 (2)C17—C16—C21—N2176.2 (2)
N2—Co1—O4—C2842.7 (2)C17—C16—C21—C202.0 (3)
Co1—O1—C1—C266.1 (2)C21—C16—C17—C181.6 (3)
Co1—O2—C14—C933.7 (3)C16—C17—C18—C190.1 (3)
Co1—O2—C14—C13147.8 (2)C17—C18—C19—C201.1 (4)
Co1—O3—C15—C1664.5 (2)C18—C19—C20—C210.7 (4)
Co1—O4—C28—C2335.7 (3)C19—C20—C21—N2177.3 (2)
Co1—O4—C28—C27145.8 (2)C19—C20—C21—C160.9 (3)
Co1—N1—C7—C246.1 (2)N2—C22—C23—C24166.2 (2)
Co1—N1—C7—C6130.47 (19)N2—C22—C23—C2815.5 (4)
Co1—N1—C8—C96.2 (3)C22—C23—C24—C25178.9 (2)
C7—N1—C8—C9169.6 (2)C22—C23—C28—O41.0 (4)
C8—N1—C7—C2138.0 (2)C22—C23—C28—C27179.5 (2)
C8—N1—C7—C645.4 (3)C24—C23—C28—O4177.3 (2)
Co1—N2—C21—C1642.9 (2)C24—C23—C28—C271.3 (4)
Co1—N2—C21—C20135.3 (2)C28—C23—C24—C252.8 (4)
Co1—N2—C22—C234.4 (3)C23—C24—C25—C262.2 (5)
C21—N2—C22—C23173.4 (2)C24—C25—C26—C270.2 (4)
C22—N2—C21—C16139.3 (2)C25—C26—C27—C281.3 (5)
C22—N2—C21—C2042.5 (3)C26—C27—C28—O4179.3 (2)
O1—C1—C2—C3120.5 (2)C26—C27—C28—C230.8 (4)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1—H1···O80.82 (3)1.75 (4)2.557 (3)171 (2)
O3—H13···O6i0.81 (5)1.91 (5)2.712 (3)168 (4)
O8—H25···O5ii0.90 (2)2.01 (2)2.873 (2)160 (3)
O8—H26···O50.92 (2)1.84 (3)2.745 (3)169 (3)
Symmetry codes: (i) x+1, y, z+1; (ii) x, y, z+1.
 

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