A homochiral coordination polymer of cobalt(II) and L-serine

A one-dimensional chiral cobalt(II) coordination polymer, namely, catena-poly[[[(S)-2-amino-3-hy­droxy­propano­ato-κ²N,O¹]cobalt(II)]-μ-(S)-2-amino-3-hy­droxy­propano­ato-κ⁴O¹,O³:N,O^1′], [Co(C₃H₆NO₃)₂]_n or Δ-[Co(L-Ser-κ²N,O)₂]_n (L-Ser = L-serine) (1), has been synthesized and characterized using elemental and thermal analyses, IR spectroscopy and single-crystal and powder X-ray diffraction techniques. The asymmetric unit of 1 consists of two serine anions which are coordinated to a Co²⁺ ion to give three chelate rings. These extend the structure into a helical chain with pendant chelate rings which participate in inter­chain hydro­gen bonding. The ability of 1 to undergo transmetallation was evaluated. Among a range of divalent metal ions, only copper(II) partially replaced cobalt(II).

Computing details

Data collection: APEX3 (Bruker, 2018); cell refinement: SAINT (Bruker, 2017); data reduction: SAINT (Bruker 2017); program(s) used to solve structure: SHELXS2017 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2017 (Sheldrick, 2015); molecular graphics: X-SEED (Barbour, 2020); software used to prepare material for publication: SHELXL2017 (Sheldrick, 2015).

catena-Poly[[[(S)-2-amino-3-hydroxypropanoato-κ²N,O¹]cobalt(II)]-µ-(S)-2-amino-3-hydroxypropanoato-κ⁴O¹,O³:N,O^1']

Crystal data

[Co(C3H6NO3)2]	F(000) = 274
Mr = 267.11	Dx = 1.891 Mg m^−3
Monoclinic, P21	Mo Kα radiation, λ = 0.71073 Å
a = 5.5666 (4) Å	Cell parameters from 11159 reflections
b = 8.7105 (6) Å	θ = 2.1–28.4°
c = 9.8314 (7) Å	µ = 1.84 mm^−1
β = 100.311 (1)°	T = 173 K
V = 469.01 (6) Å^3	Block, red purple
Z = 2	0.24 × 0.24 × 0.22 mm

Data collection

Bruker Kappa DUO APEXII diffractometer	2293 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.034
1.2°φ scans and ω scans	θmax = 28.4°, θmin = 2.1°
Absorption correction: multi-scan (SADABS; Krause et al., 2015)	h = −7→7
	k = −11→11
11159 measured reflections	l = −13→13
2353 independent reflections

Refinement

Refinement on F^2	Hydrogen site location: mixed
Least-squares matrix: full	H atoms treated by a mixture of independent and constrained refinement
R[F^2 > 2σ(F^2)] = 0.021	w = 1/[σ^2(Fo^2) + (0.0277P)^2] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.048	(Δ/σ)max < 0.001
S = 1.03	Δρmax = 0.23 e Å^−3
2353 reflections	Δρmin = −0.20 e Å^−3
140 parameters	Absolute structure: Flack x determined using 1028 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons et al., 2013)
1 restraint	Absolute structure parameter: −0.001 (11)

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.

Refinement. For single-crystal structure refinement, data collections were performed on a Bruker KAPPA APEXII Duo diffractometer using Mo <i.Kα (λ = 0.71069 Å). Unit-cell refinement and data reduction were performed using the program SAINT (Bruker, 2017). Data were corrected for Lorentz polarisation effects and for absorption using the program SADABS (Krause et al., 2015). The structure was solved by direct methods and refined by full-matrix least squares on F² in the SHELX (Sheldrick, 2008) suite of programs within the X-SEED (Barbour, 2020) interface. All non-H atoms were refined with anisotropic displacement parameters

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

	x	y	z	Uiso*/Ueq
Co1	0.48448 (5)	0.83382 (4)	0.19408 (3)	0.01158 (9)
O1B	0.2501 (3)	0.9135 (2)	0.32539 (18)	0.0174 (4)
N1A	0.2297 (4)	0.6561 (2)	0.1290 (2)	0.0128 (4)
H1A1	0.215527	0.595708	0.202630	0.015*
H1A2	0.080814	0.698107	0.096482	0.015*
O2A	0.6827 (3)	0.4777 (2)	−0.03844 (19)	0.0173 (4)
O2B	0.1688 (4)	0.9107 (3)	0.5386 (2)	0.0252 (4)
C2B	0.5014 (5)	0.7575 (3)	0.4964 (3)	0.0164 (5)
H2B	0.425786	0.654164	0.502740	0.020*
C1B	0.2929 (5)	0.8712 (3)	0.4518 (3)	0.0155 (5)
C2A	0.3049 (4)	0.5612 (3)	0.0202 (3)	0.0128 (5)
H2A	0.261472	0.451547	0.033510	0.015*
O3B	0.7553 (4)	0.9428 (2)	0.6409 (2)	0.0254 (5)
H3B	0.880303	0.937581	0.604197	0.030*
N1B	0.6587 (4)	0.7465 (3)	0.3906 (2)	0.0162 (5)
H1B1	0.699717	0.646471	0.380866	0.019*
H1B2	0.798857	0.799991	0.419787	0.019*
C3B	0.6445 (5)	0.7949 (3)	0.6386 (3)	0.0214 (6)
H3B1	0.533739	0.792153	0.706907	0.026*
H3B2	0.772685	0.716300	0.665458	0.026*
O1A	0.6898 (3)	0.6873 (2)	0.09082 (19)	0.0168 (4)
C1A	0.5799 (5)	0.5750 (3)	0.0258 (3)	0.0122 (5)
O3A	0.2204 (4)	0.5083 (2)	−0.22685 (19)	0.0166 (4)
H3A2	0.099 (7)	0.477 (4)	−0.251 (3)	0.020*
C3A	0.1783 (5)	0.6157 (3)	−0.1223 (3)	0.0150 (5)
H1	0.000691	0.625528	−0.123775	0.018*
H2	0.242032	0.717924	−0.141951	0.018*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Co1	0.01072 (14)	0.01198 (13)	0.01185 (15)	0.00105 (14)	0.00152 (10)	0.00012 (15)
O1B	0.0164 (9)	0.0197 (9)	0.0156 (9)	0.0055 (7)	0.0016 (7)	−0.0012 (7)
N1A	0.0112 (10)	0.0148 (9)	0.0128 (11)	0.0003 (8)	0.0031 (8)	0.0003 (8)
O2A	0.0114 (8)	0.0196 (9)	0.0204 (9)	0.0009 (7)	0.0018 (7)	−0.0081 (8)
O2B	0.0215 (10)	0.0339 (11)	0.0222 (10)	0.0010 (9)	0.0097 (8)	−0.0048 (9)
C2B	0.0192 (12)	0.0157 (12)	0.0152 (12)	−0.0013 (10)	0.0048 (10)	0.0001 (10)
C1B	0.0150 (11)	0.0150 (13)	0.0167 (12)	−0.0023 (8)	0.0032 (9)	−0.0031 (9)
C2A	0.0103 (11)	0.0147 (11)	0.0133 (12)	0.0006 (9)	0.0022 (9)	−0.0001 (9)
O3B	0.0195 (10)	0.0284 (11)	0.0287 (11)	−0.0030 (8)	0.0057 (9)	−0.0141 (9)
N1B	0.0175 (10)	0.0173 (11)	0.0137 (11)	0.0037 (9)	0.0024 (8)	−0.0008 (8)
C3B	0.0247 (14)	0.0257 (16)	0.0132 (13)	0.0015 (10)	0.0016 (10)	0.0016 (10)
O1A	0.0100 (8)	0.0183 (8)	0.0220 (10)	−0.0009 (7)	0.0020 (7)	−0.0074 (7)
C1A	0.0103 (11)	0.0148 (11)	0.0113 (12)	0.0016 (9)	0.0015 (9)	0.0004 (9)
O3A	0.0133 (9)	0.0198 (9)	0.0160 (9)	0.0003 (8)	0.0006 (7)	−0.0048 (7)
C3A	0.0133 (12)	0.0163 (12)	0.0148 (13)	0.0023 (9)	0.0008 (10)	−0.0013 (10)

Geometric parameters (Å, º)

Co1—O1A	2.0930 (19)	O2B—C1B	1.239 (3)
Co1—O1B	2.1102 (19)	C2B—N1B	1.478 (4)
Co1—O2A^i	2.0658 (18)	C2B—C3B	1.515 (4)
Co1—O3A^i	2.2183 (19)	C2B—C1B	1.530 (4)
Co1—N1A	2.119 (2)	C2A—C3A	1.527 (3)
Co1—N1B	2.140 (2)	C2A—C1A	1.527 (4)
O1B—C1B	1.277 (3)	O3B—C3B	1.427 (3)
N1A—C2A	1.470 (3)	O1A—C1A	1.265 (3)
O2A—C1A	1.255 (3)	O3A—C3A	1.440 (3)
O1A—Co1—N1A	78.60 (8)	N1B—C2B—C3B	112.5 (2)
O1B—Co1—N1B	78.14 (8)	N1B—C2B—C1B	110.8 (2)
O2A^i—Co1—O3A^i	85.17 (7)	C3B—C2B—C1B	111.8 (2)
O1A—Co1—O1B	161.50 (7)	O2B—C1B—O1B	124.1 (2)
N1A—Co1—O3A^i	169.15 (8)	O2B—C1B—C2B	118.0 (2)
O2A^i—Co1—N1B	162.83 (8)	O1B—C1B—C2B	117.8 (2)
O2A^i—Co1—O1A	102.90 (7)	N1A—C2A—C3A	110.4 (2)
O2A^i—Co1—O1B	90.45 (7)	N1A—C2A—C1A	110.1 (2)
O2A^i—Co1—N1A	91.77 (8)	C3A—C2A—C1A	107.7 (2)
O1B—Co1—N1A	88.37 (8)	C2B—N1B—Co1	112.50 (16)
O1A—Co1—N1B	91.29 (8)	O3B—C3B—C2B	111.3 (2)
N1A—Co1—N1B	100.58 (8)	C1A—O1A—Co1	117.37 (17)
O1A—Co1—O3A^i	91.92 (7)	O2A—C1A—O1A	123.7 (2)
O1B—Co1—O3A^i	102.04 (7)	O2A—C1A—C2A	118.2 (2)
N1B—Co1—O3A^i	84.73 (8)	O1A—C1A—C2A	118.1 (2)
C1B—O1B—Co1	118.21 (16)	C3A—O3A—Co1^ii	123.54 (15)
C2A—N1A—Co1	111.59 (15)	O3A—C3A—C2A	110.21 (19)
C1A—O2A—Co1^ii	126.67 (16)

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