Literature DB >> 22589826

Aqua-chlorido{6,6'-dimeth-oxy-2,2'-[ethane-1,2-diylbis(nitrilo-methanylyl-idene)]diphenolato-κ(2)O(1),N,N',O(1')}cobalt(III) dimethyl-formamide monosolvate.

Yun Wei¹, Ting Pang, Jiacheng Liu, Meng Li, Lili Liang.

Abstract

In the title compound, [Co(C(18)H(18)N(2)O(4))Cl(n class="Chemical">H(2)O)]·C(3)H(7)NO, the Co(III) ion is six-coordinated by a tetra-dentate 6,6'-dimeth-oxy-2,2'-[ethane-1,2-diylbis(nitrilo-methanylyl-idene)]diphenolate ligand, with a chloride ion and an aqua ligand in the apical positions. The compound crystallized as a dimethyl-formamide (DMF) monosolvate. In the crystal, complex mol-ecules are linked via O-H(water)⋯O hydrogen bonds to form a dimer-like arrangement. These dimers are linked via a C-H⋯Cl inter-action, and the DMF mol-ecule is linked to the complex mol-ecule by C-H⋯O inter-actions.

Entities: Chemical Disease Gene Species

Year: 2012 PMID： 22589826 PMCID： PMC3343852 DOI： 10.1107/S1600536812011324

Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN： 1600-5368

Related literature

For related literature on metal complexes of Schiff bases, see: Aurangzeb et al. (1994 ▶); Hulme et al. (1997 ▶); Li et al. (2008 ▶); Wang et al. (1979 ▶); Xing (2009 ▶). For transition metal complexes of Schiff bases derived from o-vanillin, with antibacterial activity, see: Liu et al. (1990 ▶); Viswanathamurthi et al. (2000 ▶); Yeap et al. (2003 ▶). For the crystal structure of the ligand, see: Xia et al. (2006 ▶). For the crystal structure of the monohydrate form of the title complex, see: Xing (2009 ▶).

Experimental

Crystal data

[Co(C18H18N2O4)Cl(H2O)]·C3H7NO M = 511.84 Monoclinic, a = 13.1384 (13) Å b = 13.3144 (19) Å c = 14.0120 (9) Å β = 110.198 (6)° V = 2300.4 (4) Å3 Z = 4 Mo Kα radiation μ = 0.90 mm−1 T = 293 K 0.24 × 0.22 × 0.20 mm

Data collection

Bruker APEXII CCD diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 2003 ▶) T min = 0.812, T max = 0.840 12275 measured reflections 4034 independent reflections 2827 reflections with I > 2σ(I) R int = 0.087

Refinement

R[F 2 > 2σ(F 2)] = 0.058 wR(F 2) = 0.140 S = 1.01 4034 reflections 293 parameters H-atom parameters constrained Δρmax = 0.70 e Å−3 Δρmin = −0.39 e Å−3 Data collection: APEX2 (Bruker, 2008 ▶); cell refinement: SAINT (Bruker, 2008 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL. Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536812011324/su2386sup1.cif Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536812011324/su2386Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[Co(C₁₈H₁₈N₂O₄)Cl(H₂O)]·C₃H₇NO	F(000) = 1064
M_r = 511.84	D_x = 1.478 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 2594 reflections
a = 13.1384 (13) Å	θ = 2.3–22.5°
b = 13.3144 (19) Å	µ = 0.90 mm⁻¹
c = 14.0120 (9) Å	T = 293 K
β = 110.198 (6)°	Block, red
V = 2300.4 (4) Å³	0.24 × 0.22 × 0.20 mm
Z = 4

Bruker APEXII CCD diffractometer	4034 independent reflections
Radiation source: fine-focus sealed tube	2827 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.087
φ and ω scans	θ_max = 25.0°, θ_min = 3.0°
Absorption correction: multi-scan (SADABS; Sheldrick, 2003)	h = −15→15
T_min = 0.812, T_max = 0.840	k = −15→14
12275 measured reflections	l = −16→16

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.058	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.140	H-atom parameters constrained
S = 1.01	w = 1/[σ²(F_o²) + (0.0689P)²] where P = (F_o² + 2F_c²)/3
4034 reflections	(Δ/σ)_max = 0.001
293 parameters	Δρ_max = 0.70 e Å⁻³
0 restraints	Δρ_min = −0.39 e Å⁻³

Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All su's are estimated from the variances of the (full) variance-covariance matrix. The cell esds are taken into account in the estimation of distances, angles and torsion angles

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

	x	y	z	U_iso*/U_eq
Co1	0.90848 (4)	0.14998 (3)	0.92275 (3)	0.0496 (2)
Cl5	0.92093 (9)	0.30523 (7)	0.98338 (7)	0.0715 (4)
O1	0.90866 (18)	0.09840 (17)	1.04805 (16)	0.0522 (8)
O2	1.06060 (18)	0.13508 (17)	0.97448 (17)	0.0539 (8)
O3	0.94754 (18)	0.02362 (19)	1.22469 (16)	0.0611 (9)
O4	1.26159 (19)	0.1281 (2)	1.08943 (19)	0.0673 (10)
O5	0.89466 (17)	0.01086 (16)	0.86955 (15)	0.0533 (8)
N1	0.9079 (2)	0.1957 (2)	0.7953 (2)	0.0535 (10)
N2	0.7567 (2)	0.1638 (2)	0.8674 (2)	0.0569 (10)
C1	1.1284 (3)	0.1773 (2)	0.9372 (3)	0.0515 (11)
C2	1.2396 (3)	0.1745 (3)	0.9968 (3)	0.0606 (14)
C3	1.3174 (3)	0.2134 (3)	0.9619 (3)	0.0751 (17)
C4	1.2861 (4)	0.2591 (4)	0.8665 (4)	0.0822 (17)
C5	1.1799 (4)	0.2652 (3)	0.8074 (3)	0.0737 (17)
C6	1.0988 (3)	0.2252 (3)	0.8418 (3)	0.0578 (12)
C7	0.9889 (3)	0.2273 (3)	0.7741 (3)	0.0594 (14)
C8	0.7993 (3)	0.1895 (3)	0.7181 (3)	0.0698 (16)
C9	0.7199 (3)	0.2143 (3)	0.7682 (3)	0.0743 (16)
C10	0.6880 (3)	0.1424 (3)	0.9111 (3)	0.0586 (12)
C11	0.7150 (3)	0.1020 (3)	1.0106 (3)	0.0541 (12)
C12	0.6303 (3)	0.0808 (3)	1.0478 (3)	0.0663 (14)
C13	0.6511 (3)	0.0418 (3)	1.1417 (3)	0.0727 (17)
C14	0.7565 (3)	0.0214 (3)	1.2036 (3)	0.0665 (16)
C15	0.8411 (3)	0.0409 (3)	1.1708 (2)	0.0543 (11)
C16	0.8231 (3)	0.0820 (2)	1.0729 (2)	0.0499 (11)
C17	0.9757 (3)	−0.0122 (3)	1.3268 (2)	0.0700 (16)
C18	1.3706 (3)	0.1101 (4)	1.1502 (3)	0.0778 (17)
O6	0.5199 (4)	0.9040 (5)	0.2962 (4)	0.192 (3)
N3	0.6662 (5)	0.9626 (6)	0.4178 (4)	0.134 (3)
C19	0.7766 (5)	0.9485 (6)	0.4778 (4)	0.168 (4)
C20	0.6114 (8)	1.0463 (11)	0.4401 (8)	0.236 (8)
C21	0.6116 (6)	0.9002 (6)	0.3479 (5)	0.141 (3)
H3	1.39040	0.20920	1.00180	0.0900*
H4	1.33860	0.28570	0.84310	0.0980*
H5	1.16020	0.29590	0.74400	0.0890*
H5A	0.87980	−0.03370	0.91700	0.0800*
H5B	0.96130	−0.00860	0.86080	0.0800*
H7	0.97560	0.25380	0.70950	0.0710*
H8A	0.78620	0.12230	0.68970	0.0840*
H8B	0.79280	0.23660	0.66340	0.0840*
H9A	0.71680	0.28640	0.77700	0.0890*
H9B	0.64820	0.19090	0.72730	0.0890*
H10	0.61510	0.15420	0.87490	0.0700*
H12	0.55890	0.09390	1.00710	0.0790*
H13	0.59420	0.02860	1.16480	0.0870*
H14	0.76990	−0.00570	1.26800	0.0800*
H17A	0.95880	0.03830	1.36800	0.0840*
H17B	1.05190	−0.02680	1.35360	0.0840*
H17C	0.93540	−0.07210	1.32750	0.0840*
H18A	1.40490	0.07070	1.11250	0.0940*
H18B	1.37300	0.07430	1.21040	0.0940*
H18C	1.40800	0.17290	1.16890	0.0940*
H19A	0.80250	0.88730	0.45800	0.2020*
H19B	0.78360	0.94460	0.54820	0.2020*
H19C	0.81850	1.00400	0.46800	0.2020*
H20A	0.53720	1.04620	0.39530	0.3540*
H20B	0.64610	1.10710	0.43080	0.3540*
H20C	0.61390	1.04200	0.50920	0.3540*
H21	0.65020	0.84530	0.33730	0.1690*

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Co1	0.0578 (3)	0.0354 (3)	0.0523 (3)	0.0018 (2)	0.0148 (2)	0.0031 (2)
Cl5	0.0952 (8)	0.0478 (5)	0.0697 (6)	0.0027 (5)	0.0262 (5)	−0.0019 (4)
O1	0.0540 (13)	0.0457 (14)	0.0556 (13)	0.0024 (11)	0.0173 (11)	0.0083 (10)
O2	0.0593 (14)	0.0420 (13)	0.0586 (14)	−0.0011 (11)	0.0179 (11)	0.0085 (10)
O3	0.0649 (16)	0.0616 (16)	0.0533 (14)	0.0079 (13)	0.0158 (12)	0.0069 (11)
O4	0.0587 (16)	0.0688 (18)	0.0702 (16)	0.0024 (13)	0.0171 (13)	0.0054 (13)
O5	0.0599 (14)	0.0371 (12)	0.0615 (13)	−0.0006 (11)	0.0192 (11)	0.0021 (10)
N1	0.0674 (19)	0.0372 (16)	0.0520 (16)	−0.0020 (14)	0.0157 (15)	0.0019 (12)
N2	0.0667 (19)	0.0432 (17)	0.0551 (17)	0.0056 (14)	0.0136 (16)	0.0072 (13)
C1	0.064 (2)	0.0339 (18)	0.060 (2)	−0.0031 (16)	0.0259 (19)	−0.0050 (15)
C2	0.069 (3)	0.050 (2)	0.067 (2)	−0.0035 (19)	0.029 (2)	−0.0060 (17)
C3	0.072 (3)	0.070 (3)	0.087 (3)	−0.008 (2)	0.032 (2)	−0.006 (2)
C4	0.083 (3)	0.082 (3)	0.095 (3)	−0.016 (3)	0.048 (3)	−0.003 (3)
C5	0.097 (3)	0.059 (3)	0.074 (3)	−0.012 (2)	0.041 (3)	0.0032 (19)
C6	0.070 (2)	0.044 (2)	0.062 (2)	−0.0035 (18)	0.026 (2)	−0.0028 (16)
C7	0.086 (3)	0.041 (2)	0.052 (2)	0.0026 (19)	0.025 (2)	0.0048 (15)
C8	0.082 (3)	0.066 (3)	0.052 (2)	−0.002 (2)	0.011 (2)	0.0086 (17)
C9	0.069 (3)	0.074 (3)	0.067 (2)	0.006 (2)	0.007 (2)	0.017 (2)
C10	0.055 (2)	0.046 (2)	0.066 (2)	0.0043 (17)	0.0098 (19)	0.0027 (16)
C11	0.056 (2)	0.044 (2)	0.059 (2)	0.0013 (17)	0.0158 (17)	−0.0028 (15)
C12	0.056 (2)	0.069 (3)	0.072 (2)	0.0048 (19)	0.0197 (19)	−0.002 (2)
C13	0.070 (3)	0.080 (3)	0.075 (3)	0.001 (2)	0.034 (2)	−0.001 (2)
C14	0.077 (3)	0.066 (3)	0.060 (2)	0.002 (2)	0.028 (2)	0.0043 (18)
C15	0.064 (2)	0.0418 (19)	0.056 (2)	0.0031 (17)	0.0192 (18)	−0.0021 (15)
C16	0.060 (2)	0.0353 (18)	0.056 (2)	0.0043 (16)	0.0222 (17)	−0.0025 (14)
C17	0.083 (3)	0.067 (3)	0.054 (2)	0.010 (2)	0.016 (2)	0.0007 (18)
C18	0.061 (3)	0.076 (3)	0.086 (3)	0.004 (2)	0.012 (2)	−0.002 (2)
O6	0.128 (4)	0.242 (7)	0.143 (4)	−0.093 (4)	−0.033 (3)	0.061 (4)
N3	0.121 (4)	0.159 (6)	0.096 (3)	−0.056 (4)	0.005 (3)	0.032 (3)
C19	0.148 (6)	0.189 (8)	0.115 (4)	−0.095 (6)	−0.021 (4)	0.057 (5)
C20	0.215 (11)	0.292 (18)	0.224 (11)	−0.008 (10)	0.105 (8)	−0.032 (11)
C21	0.138 (6)	0.134 (6)	0.103 (4)	−0.075 (5)	−0.019 (4)	0.041 (4)

Co1—Cl5	2.2193 (11)	C11—C12	1.411 (6)
Co1—O1	1.885 (2)	C11—C16	1.412 (5)
Co1—O2	1.887 (3)	C12—C13	1.352 (6)
Co1—O5	1.982 (2)	C13—C14	1.384 (6)
Co1—N1	1.884 (3)	C14—C15	1.366 (6)
Co1—N2	1.883 (3)	C15—C16	1.419 (4)
O1—C16	1.305 (5)	C3—H3	0.9300
O2—C1	1.305 (5)	C4—H4	0.9300
O3—C15	1.360 (4)	C5—H5	0.9300
O3—C17	1.430 (4)	C7—H7	0.9300
O4—C2	1.375 (5)	C8—H8B	0.9700
O4—C18	1.411 (5)	C8—H8A	0.9700
O5—H5A	0.9600	C9—H9B	0.9700
O5—H5B	0.9600	C9—H9A	0.9700
O6—C21	1.173 (9)	C10—H10	0.9300
N1—C7	1.271 (5)	C12—H12	0.9300
N1—C8	1.465 (5)	C13—H13	0.9300
N2—C10	1.286 (5)	C14—H14	0.9300
N2—C9	1.468 (5)	C17—H17A	0.9600
N3—C19	1.416 (9)	C17—H17B	0.9600
N3—C20	1.419 (15)	C17—H17C	0.9600
N3—C21	1.296 (10)	C18—H18B	0.9600
C1—C6	1.409 (5)	C18—H18C	0.9600
C1—C2	1.411 (6)	C18—H18A	0.9600
C2—C3	1.378 (6)	C19—H19A	0.9600
C3—C4	1.395 (7)	C19—H19B	0.9600
C4—C5	1.357 (7)	C19—H19C	0.9600
C5—C6	1.416 (7)	C20—H20A	0.9600
C6—C7	1.428 (6)	C20—H20B	0.9600
C8—C9	1.482 (6)	C20—H20C	0.9600
C10—C11	1.420 (6)	C21—H21	0.9300

Cl5—Co1—O1	90.38 (7)	C11—C16—C15	117.8 (4)
Cl5—Co1—O2	91.29 (8)	O1—C16—C15	116.8 (3)
Cl5—Co1—O5	178.77 (8)	O1—C16—C11	125.4 (3)
Cl5—Co1—N1	92.15 (9)	C2—C3—H3	120.00
Cl5—Co1—N2	89.67 (9)	C4—C3—H3	120.00
O1—Co1—O2	86.75 (10)	C5—C4—H4	120.00
O1—Co1—O5	88.87 (9)	C3—C4—H4	120.00
O1—Co1—N1	177.47 (11)	C4—C5—H5	120.00
O1—Co1—N2	94.58 (11)	C6—C5—H5	120.00
O2—Co1—O5	89.63 (10)	N1—C7—H7	118.00
O2—Co1—N1	93.16 (11)	C6—C7—H7	117.00
O2—Co1—N2	178.35 (11)	C9—C8—H8B	110.00
O5—Co1—N1	88.60 (10)	H8A—C8—H8B	108.00
O5—Co1—N2	89.42 (11)	C9—C8—H8A	110.00
N1—Co1—N2	85.46 (12)	N1—C8—H8A	110.00
Co1—O1—C16	125.8 (2)	N1—C8—H8B	110.00
Co1—O2—C1	125.4 (2)	N2—C9—H9A	110.00
C15—O3—C17	118.2 (3)	N2—C9—H9B	110.00
C2—O4—C18	119.0 (3)	C8—C9—H9A	110.00
Co1—O5—H5A	109.00	C8—C9—H9B	110.00
Co1—O5—H5B	109.00	H9A—C9—H9B	109.00
H5A—O5—H5B	110.00	C11—C10—H10	117.00
Co1—N1—C7	126.8 (3)	N2—C10—H10	118.00
Co1—N1—C8	111.5 (2)	C11—C12—H12	120.00
C7—N1—C8	121.8 (3)	C13—C12—H12	119.00
C9—N2—C10	119.8 (3)	C12—C13—H13	120.00
Co1—N2—C10	126.9 (3)	C14—C13—H13	120.00
Co1—N2—C9	113.0 (2)	C15—C14—H14	120.00
C19—N3—C21	123.4 (7)	C13—C14—H14	120.00
C20—N3—C21	118.7 (8)	O3—C17—H17B	109.00
C19—N3—C20	117.9 (7)	H17A—C17—H17C	109.00
C2—C1—C6	117.6 (4)	O3—C17—H17C	110.00
O2—C1—C2	117.5 (3)	H17A—C17—H17B	109.00
O2—C1—C6	124.9 (4)	O3—C17—H17A	110.00
O4—C2—C1	114.1 (3)	H17B—C17—H17C	109.00
O4—C2—C3	124.4 (4)	O4—C18—H18C	110.00
C1—C2—C3	121.6 (4)	H18A—C18—H18C	109.00
C2—C3—C4	119.7 (4)	H18B—C18—H18C	110.00
C3—C4—C5	120.8 (5)	H18A—C18—H18B	109.00
C4—C5—C6	120.4 (4)	O4—C18—H18A	109.00
C5—C6—C7	118.3 (4)	O4—C18—H18B	109.00
C1—C6—C5	120.0 (4)	O6—C21—N3	128.4 (8)
C1—C6—C7	121.6 (4)	N3—C19—H19A	109.00
N1—C7—C6	125.1 (4)	N3—C19—H19B	109.00
N1—C8—C9	107.6 (3)	N3—C19—H19C	110.00
N2—C9—C8	106.9 (3)	H19A—C19—H19B	109.00
N2—C10—C11	125.0 (4)	H19A—C19—H19C	110.00
C12—C11—C16	119.2 (3)	H19B—C19—H19C	109.00
C10—C11—C16	122.4 (4)	N3—C20—H20A	109.00
C10—C11—C12	118.5 (4)	N3—C20—H20B	109.00
C11—C12—C13	121.1 (4)	N3—C20—H20C	109.00
C12—C13—C14	120.5 (4)	H20A—C20—H20B	110.00
C13—C14—C15	120.4 (4)	H20A—C20—H20C	109.00
O3—C15—C14	125.5 (3)	H20B—C20—H20C	110.00
C14—C15—C16	121.0 (3)	O6—C21—H21	116.00
O3—C15—C16	113.5 (3)	N3—C21—H21	116.00

Cl5—Co1—O1—C16	90.4 (2)	Co1—N2—C10—C11	−1.2 (6)
O2—Co1—O1—C16	−178.3 (2)	C10—N2—C9—C8	−155.7 (3)
O5—Co1—O1—C16	−88.6 (2)	C19—N3—C21—O6	178.1 (8)
N2—Co1—O1—C16	0.7 (2)	C20—N3—C21—O6	2.1 (13)
Cl5—Co1—O2—C1	−73.5 (2)	O2—C1—C6—C5	−177.6 (3)
O1—Co1—O2—C1	−163.8 (3)	C2—C1—C6—C7	176.8 (4)
O5—Co1—O2—C1	107.3 (3)	O2—C1—C2—O4	−1.3 (5)
N1—Co1—O2—C1	18.7 (3)	O2—C1—C6—C7	−3.0 (6)
Cl5—Co1—N1—C7	75.7 (3)	O2—C1—C2—C3	177.3 (3)
Cl5—Co1—N1—C8	−105.3 (2)	C2—C1—C6—C5	2.2 (5)
O2—Co1—N1—C7	−15.8 (3)	C6—C1—C2—C3	−2.6 (5)
O2—Co1—N1—C8	163.3 (2)	C6—C1—C2—O4	178.9 (3)
O5—Co1—N1—C7	−105.3 (3)	C1—C2—C3—C4	1.7 (6)
O5—Co1—N1—C8	73.7 (2)	O4—C2—C3—C4	−180.0 (4)
N2—Co1—N1—C7	165.2 (3)	C2—C3—C4—C5	−0.4 (7)
N2—Co1—N1—C8	−15.8 (2)	C3—C4—C5—C6	0.1 (7)
Cl5—Co1—N2—C9	83.4 (2)	C4—C5—C6—C7	−175.8 (4)
Cl5—Co1—N2—C10	−89.9 (3)	C4—C5—C6—C1	−1.0 (6)
O1—Co1—N2—C9	173.8 (2)	C5—C6—C7—N1	−178.8 (4)
O1—Co1—N2—C10	0.5 (3)	C1—C6—C7—N1	6.6 (6)
O5—Co1—N2—C9	−97.4 (2)	N1—C8—C9—N2	−41.8 (4)
O5—Co1—N2—C10	89.3 (3)	N2—C10—C11—C16	0.7 (6)
N1—Co1—N2—C9	−8.8 (2)	N2—C10—C11—C12	−179.0 (4)
N1—Co1—N2—C10	177.9 (3)	C10—C11—C12—C13	179.7 (4)
Co1—O1—C16—C11	−1.3 (4)	C16—C11—C12—C13	0.0 (6)
Co1—O1—C16—C15	178.8 (2)	C12—C11—C16—C15	0.1 (5)
Co1—O2—C1—C2	167.5 (2)	C12—C11—C16—O1	−179.7 (3)
Co1—O2—C1—C6	−12.7 (5)	C10—C11—C16—O1	0.6 (5)
C17—O3—C15—C16	176.4 (3)	C10—C11—C16—C15	−179.5 (3)
C17—O3—C15—C14	−4.1 (5)	C11—C12—C13—C14	−0.2 (6)
C18—O4—C2—C3	−6.1 (6)	C12—C13—C14—C15	0.3 (6)
C18—O4—C2—C1	172.4 (3)	C13—C14—C15—C16	−0.2 (6)
Co1—N1—C8—C9	36.3 (3)	C13—C14—C15—O3	−179.7 (4)
C7—N1—C8—C9	−144.6 (4)	O3—C15—C16—C11	179.6 (3)
Co1—N1—C7—C6	6.2 (6)	C14—C15—C16—O1	179.8 (3)
C8—N1—C7—C6	−172.7 (4)	C14—C15—C16—C11	0.0 (5)
Co1—N2—C9—C8	30.5 (4)	O3—C15—C16—O1	−0.6 (4)
C9—N2—C10—C11	−174.1 (4)

D—H···A	D—H	H···A	D···A	D—H···A
O5—H5A···O2ⁱ	0.96	1.98	2.830 (3)	146
O5—H5A···O4ⁱ	0.96	2.22	2.964 (4)	134
O5—H5B···O1ⁱ	0.96	2.11	2.840 (3)	131
O5—H5B···O3ⁱ	0.96	1.97	2.854 (3)	151
C9—H9B···O6ⁱⁱ	0.97	2.47	3.355 (7)	152
C10—H10···O6ⁱⁱ	0.93	2.56	3.287 (7)	135
C17—H17A···Cl5ⁱⁱⁱ	0.96	2.79	3.744 (4)	175

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O5—H5A⋯O2ⁱ	0.96	1.98	2.830 (3)	146
O5—H5A⋯O4ⁱ	0.96	2.22	2.964 (4)	134
O5—H5B⋯O1ⁱ	0.96	2.11	2.840 (3)	131
O5—H5B⋯O3ⁱ	0.96	1.97	2.854 (3)	151
C9—H9B⋯O6ⁱⁱ	0.97	2.47	3.355 (7)	152
C10—H10⋯O6ⁱⁱ	0.93	2.56	3.287 (7)	135
C17—H17A⋯Cl5ⁱⁱⁱ	0.96	2.79	3.744 (4)	175

Symmetry codes: (i) ; (ii) ; (iii) .

2 in total

1. A short history of SHELX.

Authors: George M Sheldrick
Journal: Acta Crystallogr A Date: 2007-12-21 Impact factor: 2.290

2. Aqua-chlorido{6,6'-dimeth-oxy-2,2'-[ethane-1,2-diylbis(nitrilo-dimethyl-idyne)]diphenolato-κO,N,N',O}cobalt(III) monohydrate.

Authors: Jianxin Xing
Journal: Acta Crystallogr Sect E Struct Rep Online Date: 2009-03-31

2 in total