Poly[[μ₃-2-(benzotriazol-1-yl)acetato-κ³O:O′:N³]chlorido­(ethanol-κO)cobalt(II)]

In the title compound, [Co(C₈H₆N₃O₂)Cl(C₂H₅OH)]_n, the Co^II atoms adopt octa­hedral trans-CoN₂O₄ and tetra­hedral CoCl₂O₂ coordination geometries (site symmetries and m, respectively). The bridging μ₃-O:O:N 2-(benzotriazol-1-yl)acetato ligands connect the octa­hedral cobalt nodes into (010) sheets and the CoCl₂ fragments link the sheets into a tri-periodic network. The structure displays O—H...O hydrogen bonding and the ethanol mol­ecule is disordered over two orientations.

Computing details

Poly[[µ₃-2-(benzotriazol-1-yl)acetato-κ³O:O':N³]chlorido(ethanol-κO)cobalt(II)]

Crystal data

[Co(C8H6N3O2)Cl(C2H6O)]	Dx = 1.793 Mg m^−3
Mr = 316.61	Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, Pnma	Cell parameters from 39979 reflections
a = 9.681 (2) Å	θ = 2.6–27.6°
b = 18.411 (4) Å	µ = 1.69 mm^−1
c = 13.163 (3) Å	T = 223 K
V = 2346.1 (9) Å^3	Block, blue
Z = 8	0.25 × 0.15 × 0.09 mm
F(000) = 1288

Data collection

Bruker SMART CCD diffractometer	2337 reflections with I > 2σ(I)
ω scans	Rint = 0.037
Absorption correction: multi-scan (SADABS; Krause et al., 2015)	θmax = 28.5°, θmin = 1.9°
Tmin = 0.745, Tmax = 0.859	h = −12→13
13580 measured reflections	k = −23→24
3058 independent reflections	l = −11→17

Refinement

Refinement on F^2	Primary atom site location: dual
Least-squares matrix: full	Hydrogen site location: mixed
R[F^2 > 2σ(F^2)] = 0.045	H atoms treated by a mixture of independent and constrained refinement
wR(F^2) = 0.120	w = 1/[σ^2(Fo^2) + (0.0582P)^2 + 2.3224P] where P = (Fo^2 + 2Fc^2)/3
S = 1.09	(Δ/σ)max < 0.001
3058 reflections	Δρmax = 0.71 e Å^−3
184 parameters	Δρmin = −0.38 e Å^−3
3 restraints

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Co1	0.43288 (6)	0.2500	0.34271 (4)	0.03019 (17)
Co2	0.5000	0.5000	0.5000	0.02529 (16)
Cl1	0.34331 (13)	0.2500	0.18726 (8)	0.0404 (3)
Cl2	0.27129 (14)	0.2500	0.46492 (10)	0.0472 (3)
O1	0.5318 (2)	0.33968 (11)	0.37700 (15)	0.0296 (4)
O2	0.5907 (2)	0.45529 (11)	0.36795 (15)	0.0288 (4)
O3	0.4442 (3)	0.40048 (12)	0.55516 (16)	0.0404 (6)
H3	0.448 (4)	0.3656 (8)	0.5120 (12)	0.061*
N1	0.6491 (2)	0.44636 (13)	0.16425 (17)	0.0279 (5)
N2	0.7812 (3)	0.44389 (13)	0.13833 (18)	0.0303 (5)
N3	0.8091 (3)	0.50073 (13)	0.08376 (18)	0.0296 (5)
C1	0.5701 (3)	0.39542 (15)	0.3296 (2)	0.0245 (6)
C2	0.4659 (6)	0.3692 (2)	0.6509 (3)	0.0657 (13)
H2AA	0.4721	0.4093	0.6986	0.079*	0.507 (11)
H2AB	0.3817	0.3432	0.6674	0.079*	0.507 (11)
H2BC	0.5343	0.3314	0.6415	0.079*	0.493 (11)
H2BD	0.5090	0.4063	0.6925	0.079*	0.493 (11)
C3	0.5741 (13)	0.3227 (7)	0.6741 (10)	0.095 (4)	0.507 (11)
H3A	0.6599	0.3487	0.6695	0.143*	0.507 (11)
H3B	0.5747	0.2829	0.6270	0.143*	0.507 (11)
H3C	0.5626	0.3045	0.7419	0.143*	0.507 (11)
C4	0.5894 (3)	0.38538 (16)	0.2171 (2)	0.0303 (6)
H4A	0.6480	0.3433	0.2062	0.036*
H4B	0.5002	0.3748	0.1870	0.036*
C5	0.6926 (3)	0.54205 (16)	0.0755 (2)	0.0297 (6)
C6	0.5883 (3)	0.50689 (16)	0.1263 (2)	0.0303 (6)
C7	0.4538 (3)	0.5326 (2)	0.1284 (3)	0.0388 (7)
H7	0.3835	0.5079	0.1619	0.047*
C8	0.4311 (4)	0.5955 (2)	0.0789 (3)	0.0464 (9)
H8	0.3422	0.6146	0.0776	0.056*
C9	0.5380 (4)	0.6334 (2)	0.0290 (3)	0.0446 (8)
H9	0.5181	0.6775	−0.0022	0.053*
C10	0.6678 (4)	0.60771 (17)	0.0254 (2)	0.0389 (7)
H10	0.7376	0.6324	−0.0087	0.047*
C3A	0.3657 (10)	0.3405 (5)	0.7065 (6)	0.061 (3)	0.493 (11)
H3AA	0.3169	0.3050	0.6670	0.092*	0.493 (11)
H3AB	0.3030	0.3781	0.7272	0.092*	0.493 (11)
H3AC	0.4047	0.3178	0.7655	0.092*	0.493 (11)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Co1	0.0432 (4)	0.0220 (3)	0.0254 (3)	0.000	0.0007 (2)	0.000
Co2	0.0336 (3)	0.0231 (3)	0.0191 (3)	−0.0040 (2)	−0.0011 (2)	−0.0030 (2)
Cl1	0.0500 (7)	0.0401 (6)	0.0310 (6)	0.000	−0.0062 (5)	0.000
Cl2	0.0544 (7)	0.0450 (7)	0.0423 (6)	0.000	0.0154 (6)	0.000
O1	0.0409 (11)	0.0250 (10)	0.0230 (10)	−0.0056 (9)	0.0008 (9)	0.0008 (8)
O2	0.0389 (11)	0.0259 (10)	0.0217 (9)	−0.0043 (8)	0.0033 (8)	−0.0050 (8)
O3	0.0704 (16)	0.0263 (11)	0.0245 (11)	−0.0106 (11)	−0.0037 (11)	−0.0014 (9)
N1	0.0327 (12)	0.0291 (12)	0.0220 (11)	−0.0024 (10)	0.0040 (10)	0.0015 (9)
N2	0.0369 (13)	0.0287 (12)	0.0252 (12)	0.0001 (11)	0.0060 (10)	0.0035 (10)
N3	0.0351 (13)	0.0273 (12)	0.0265 (12)	−0.0005 (10)	0.0046 (11)	0.0059 (10)
C1	0.0249 (13)	0.0263 (14)	0.0223 (13)	0.0001 (11)	−0.0018 (11)	0.0015 (10)
C2	0.112 (4)	0.047 (2)	0.038 (2)	−0.001 (2)	−0.014 (2)	0.0075 (18)
C3	0.111 (10)	0.079 (8)	0.096 (9)	0.013 (7)	−0.004 (7)	0.027 (6)
C4	0.0430 (16)	0.0242 (13)	0.0238 (13)	−0.0065 (12)	0.0059 (12)	−0.0004 (11)
C5	0.0386 (16)	0.0295 (14)	0.0210 (13)	−0.0006 (12)	0.0021 (12)	0.0013 (11)
C6	0.0385 (15)	0.0307 (15)	0.0217 (13)	0.0012 (12)	0.0007 (12)	−0.0015 (11)
C7	0.0369 (16)	0.0463 (19)	0.0332 (17)	0.0021 (15)	0.0027 (14)	−0.0039 (15)
C8	0.047 (2)	0.054 (2)	0.0388 (19)	0.0146 (17)	−0.0046 (16)	−0.0047 (16)
C9	0.062 (2)	0.0367 (18)	0.0351 (18)	0.0117 (16)	−0.0053 (16)	0.0043 (15)
C10	0.055 (2)	0.0334 (16)	0.0281 (15)	0.0023 (15)	0.0004 (15)	0.0046 (13)
C3A	0.082 (6)	0.069 (6)	0.033 (4)	−0.019 (5)	0.003 (4)	0.007 (4)

Geometric parameters (Å, º)

Co1—Cl1	2.2223 (13)	C2—H2BC	0.9700
Co1—Cl2	2.2439 (14)	C2—H2BD	0.9700
Co1—O1^i	1.961 (2)	C2—C3	1.387 (12)
Co1—O1	1.961 (2)	C2—C3A	1.324 (9)
Co2—O2	2.114 (2)	C3—H3A	0.9600
Co2—O2^ii	2.114 (2)	C3—H3B	0.9600
Co2—O3^ii	2.043 (2)	C3—H3C	0.9600
Co2—O3	2.043 (2)	C4—H4A	0.9700
Co2—N3^iii	2.152 (3)	C4—H4B	0.9700
Co2—N3^iv	2.152 (3)	C5—C6	1.373 (4)
O1—C1	1.257 (3)	C5—C10	1.397 (4)
O2—C1	1.228 (3)	C6—C7	1.386 (5)
O3—H3	0.859 (9)	C7—H7	0.9300
O3—C2	1.401 (4)	C7—C8	1.347 (5)
N1—N2	1.324 (3)	C8—H8	0.9300
N1—C4	1.441 (4)	C8—C9	1.410 (5)
N1—C6	1.356 (4)	C9—H9	0.9300
N2—N3	1.298 (3)	C9—C10	1.344 (5)
N3—Co2^v	2.152 (2)	C10—H10	0.9300
N3—C5	1.365 (4)	C3A—H3AA	0.9600
C1—C4	1.505 (4)	C3A—H3AB	0.9600
C2—H2AA	0.9700	C3A—H3AC	0.9600
C2—H2AB	0.9700
Cl1—Co1—Cl2	112.83 (6)	C3—C2—O3	124.4 (7)
O1—Co1—Cl1	113.73 (6)	C3—C2—H2AA	106.2
O1^i—Co1—Cl1	113.73 (6)	C3—C2—H2AB	106.2
O1—Co1—Cl2	100.10 (7)	C3A—C2—O3	123.4 (6)
O1^i—Co1—Cl2	100.10 (7)	C3A—C2—H2BC	106.5
O1—Co1—O1^i	114.66 (13)	C3A—C2—H2BD	106.5
O2^ii—Co2—O2	180.0	C2—C3—H3A	109.5
O2^ii—Co2—N3^iii	93.56 (9)	C2—C3—H3B	109.5
O2—Co2—N3^iii	86.44 (9)	C2—C3—H3C	109.5
O2^ii—Co2—N3^iv	86.44 (9)	H3A—C3—H3B	109.5
O2—Co2—N3^iv	93.56 (9)	H3A—C3—H3C	109.5
O3—Co2—O2	93.03 (8)	H3B—C3—H3C	109.5
O3^ii—Co2—O2^ii	93.03 (8)	N1—C4—C1	115.4 (2)
O3^ii—Co2—O2	86.97 (8)	N1—C4—H4A	108.4
O3—Co2—O2^ii	86.97 (8)	N1—C4—H4B	108.4
O3^ii—Co2—O3	180.0	C1—C4—H4A	108.4
O3—Co2—N3^iii	87.74 (10)	C1—C4—H4B	108.4
O3—Co2—N3^iv	92.26 (10)	H4A—C4—H4B	107.5
O3^ii—Co2—N3^iii	92.25 (10)	N3—C5—C6	107.8 (2)
O3^ii—Co2—N3^iv	87.75 (10)	N3—C5—C10	131.4 (3)
N3^iii—Co2—N3^iv	180.0	C6—C5—C10	120.8 (3)
C1—O1—Co1	135.83 (19)	N1—C6—C5	104.4 (3)
C1—O2—Co2	128.27 (18)	N1—C6—C7	133.0 (3)
Co2—O3—H3	115.0 (14)	C5—C6—C7	122.6 (3)
C2—O3—Co2	130.4 (2)	C6—C7—H7	122.0
C2—O3—H3	106.3 (14)	C8—C7—C6	115.9 (3)
N2—N1—C4	119.0 (2)	C8—C7—H7	122.0
N2—N1—C6	110.6 (2)	C7—C8—H8	119.0
C6—N1—C4	130.1 (3)	C7—C8—C9	122.1 (3)
N3—N2—N1	108.4 (2)	C9—C8—H8	119.0
N2—N3—Co2^v	117.20 (19)	C8—C9—H9	119.0
N2—N3—C5	108.8 (2)	C10—C9—C8	121.9 (3)
C5—N3—Co2^v	132.23 (19)	C10—C9—H9	119.0
O1—C1—C4	115.1 (2)	C5—C10—H10	121.7
O2—C1—O1	125.2 (3)	C9—C10—C5	116.6 (3)
O2—C1—C4	119.6 (2)	C9—C10—H10	121.7
O3—C2—H2AA	106.2	C2—C3A—H3AA	109.5
O3—C2—H2AB	106.2	C2—C3A—H3AB	109.5
O3—C2—H2BC	106.5	C2—C3A—H3AC	109.5
O3—C2—H2BD	106.5	H3AA—C3A—H3AB	109.5
H2AA—C2—H2AB	106.4	H3AA—C3A—H3AC	109.5
H2BC—C2—H2BD	106.5	H3AB—C3A—H3AC	109.5
Co1—O1—C1—O2	154.9 (2)	N2—N3—C5—C10	−179.9 (3)
Co1—O1—C1—C4	−24.5 (4)	N3—C5—C6—N1	1.1 (3)
Co2—O2—C1—O1	−27.3 (4)	N3—C5—C6—C7	−176.7 (3)
Co2—O2—C1—C4	152.1 (2)	N3—C5—C10—C9	177.7 (3)
Co2—O3—C2—C3	−96.0 (8)	C4—N1—N2—N3	174.0 (2)
Co2—O3—C2—C3A	127.9 (6)	C4—N1—C6—C5	−174.1 (3)
Co2^v—N3—C5—C6	162.5 (2)	C4—N1—C6—C7	3.3 (5)
Co2^v—N3—C5—C10	−16.0 (5)	C5—C6—C7—C8	−1.3 (5)
O1—C1—C4—N1	−172.8 (3)	C6—N1—N2—N3	−0.5 (3)
O2—C1—C4—N1	7.8 (4)	C6—N1—C4—C1	−84.3 (4)
N1—N2—N3—Co2^v	−165.54 (18)	C6—C5—C10—C9	−0.7 (5)
N1—N2—N3—C5	1.1 (3)	C6—C7—C8—C9	−0.8 (5)
N1—C6—C7—C8	−178.3 (3)	C7—C8—C9—C10	2.1 (6)
N2—N1—C4—C1	102.4 (3)	C8—C9—C10—C5	−1.3 (5)
N2—N1—C6—C5	−0.4 (3)	C10—C5—C6—N1	179.8 (3)
N2—N1—C6—C7	177.0 (3)	C10—C5—C6—C7	2.0 (5)
N2—N3—C5—C6	−1.4 (3)

Symmetry codes: (i) x, −y+1/2, z; (ii) −x+1, −y+1, −z+1; (iii) x−1/2, y, −z+1/2; (iv) −x+3/2, −y+1, z+1/2; (v) −x+3/2, −y+1, z−1/2.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O3—H3···O1	0.86 (1)	2.01 (2)	2.734 (3)	141 (2)