Bis(2-phenyl-ethyl-ammonium) tetra-chloridocobaltate(II).

Crystals of the title compound, (C(6)H(5)CH(2)CH(2)NH(3))(2)[CoCl(4)], were grown by the solvent-evaporation method. This inorganic-organic hybrid compound exhibits a layered structure in which isolated CoCl(4) inorganic layers alternate with bilayers of phenylethylammonium cations. Although the inorganic anion is zero-dimensional, the layered structure is stabilized via N-H⋯Cl hydrogen bonds. The CoCl(4) tetra-hedra connect to the cations through N-H⋯Cl hydrogen bonds, building a two-dimensional network extending parallel to (010).

Related literature

For inorganic–organic hybrids containing tetra­hedral anions, see: Abdi et al. (2005 ▶); Huh et al. (2006 ▶); Zouari & Ben Salah, (2004 ▶). For low-dimensional magnetism in inorganic–organic perovskite systems, see: de Jongh (1986 ▶); Park & Lee (2005 ▶, 2006 ▶); Depmeier (2009 ▶); Mitzi (1999 ▶). For classification of hydrogen bonds depending on bond lengths, see: Steiner (1998 ▶, 2002 ▶).

Experimental

Crystal data

(C8H12N)2[CoCl4]

M = 445.10

Monoclinic,

a = 7.4623 (13) Å

b = 24.664 (3) Å

c = 11.1997 (16) Å

β = 91.769 (13)°

V = 2060.3 (5) Å3

Z = 4

Mo Kα radiation

μ = 1.35 mm−1

T = 296 K

0.50 × 0.40 × 0.35 mm

Data collection

Bruker P4 diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.237, T max = 0.265

4692 measured reflections

3595 independent reflections

1566 reflections with I > 2σ(I)

R int = 0.041

3 standard reflections every 97 reflections intensity decay: none

Refinement

R[F 2 > 2σ(F 2)] = 0.055

wR(F 2) = 0.161

S = 1.03

3595 reflections

211 parameters

2 restraints

H-atom parameters constrained

Δρmax = 0.43 e Å−3

Δρmin = −0.30 e Å−3

Data collection: XSCANS (Bruker, 1996 ▶); cell refinement: XSCANS; data reduction: XSCANS; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: PLATON (Spek, 2009 ▶) and DIAMOND (Brandenburg, 1999 ▶); software used to prepare material for publication: SHELXL97.

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536811011603/si2347sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536811011603/si2347Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

(C8H12N)2[CoCl4]	F(000) = 916
Mr = 445.10	Dx = 1.435 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 38 reflections
a = 7.4623 (13) Å	θ = 3.3–12.3°
b = 24.664 (3) Å	µ = 1.35 mm−1
c = 11.1997 (16) Å	T = 296 K
β = 91.769 (13)°	Rectangle, blue
V = 2060.3 (5) Å3	0.5 × 0.4 × 0.35 mm
Z = 4

Bruker P4 diffractometer	1566 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.041
graphite	θmax = 25.0°, θmin = 2.0°
2θ/ω scans	h = −1→8
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	k = −1→29
Tmin = 0.237, Tmax = 0.265	l = −13→13
4692 measured reflections	3 standard reflections every 97 reflections
3595 independent reflections	intensity decay: none

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.055	H-atom parameters constrained
wR(F2) = 0.161	w = 1/[σ2(Fo2) + (0.0502P)2] where P = (Fo2 + 2Fc2)/3
S = 1.03	(Δ/σ)max = 0.001
3595 reflections	Δρmax = 0.43 e Å−3
211 parameters	Δρmin = −0.30 e Å−3
2 restraints	Extinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0018 (7)

	x	y	z	Uiso*/Ueq
Co1	0.25951 (13)	0.52176 (4)	0.77334 (8)	0.0581 (3)
Cl1	0.0134 (3)	0.55281 (9)	0.67021 (18)	0.0911 (7)
Cl2	0.2717 (3)	0.55493 (8)	0.96063 (16)	0.0901 (7)
Cl3	0.5051 (3)	0.54580 (9)	0.67008 (18)	0.0895 (7)
Cl4	0.2382 (4)	0.43175 (8)	0.78339 (19)	0.1218 (11)
C1	0.3714 (10)	0.6982 (4)	0.1447 (7)	0.075 (2)
H1	0.3974	0.6694	0.0946	0.090*
C2	0.4215 (10)	0.7492 (4)	0.1131 (6)	0.081 (3)
H31	0.4849	0.7546	0.0439	0.097*
C3	0.3783 (11)	0.7927 (3)	0.1835 (8)	0.083 (2)
H3	0.4077	0.8278	0.1608	0.099*
C4	0.2910 (10)	0.7836 (4)	0.2879 (7)	0.081 (2)
H4	0.2642	0.8125	0.3376	0.097*
C5	0.2433 (9)	0.7316 (4)	0.3188 (6)	0.068 (2)
H5	0.1823	0.7258	0.3888	0.082*
C6	0.2847 (10)	0.6882 (3)	0.2473 (6)	0.066 (2)
C7	0.2286 (12)	0.6304 (4)	0.2746 (7)	0.099 (3)
H7A	0.0987	0.6285	0.2720	0.118*
H7B	0.2717	0.6067	0.2126	0.118*
C8	0.2921 (13)	0.6110 (3)	0.3860 (7)	0.106 (3)
H8A	0.2501	0.6346	0.4484	0.127*
H8B	0.4221	0.6121	0.3886	0.127*
C9	0.2308 (9)	0.2503 (3)	0.1306 (5)	0.0560 (17)
H9	0.2728	0.2687	0.1983	0.067*
C10	0.2513 (9)	0.1950 (3)	0.1235 (6)	0.0627 (19)
H10	0.3066	0.1762	0.1866	0.075*
C11	0.1908 (10)	0.1675 (3)	0.0243 (7)	0.069 (2)
H11	0.2044	0.1301	0.0198	0.083*
C12	0.1107 (10)	0.1951 (3)	−0.0676 (6)	0.067 (2)
H12	0.0702	0.1763	−0.1353	0.080*
C13	0.0887 (9)	0.2501 (3)	−0.0622 (5)	0.0608 (18)
H13	0.0334	0.2684	−0.1260	0.073*
C14	0.1485 (9)	0.2788 (3)	0.0380 (6)	0.0562 (17)
C15	0.1166 (11)	0.3392 (3)	0.0449 (7)	0.086 (2)
H15A	0.0752	0.3519	−0.0331	0.103*
H15B	0.0215	0.3458	0.1002	0.103*
C16	0.2724 (11)	0.3707 (3)	0.0826 (7)	0.085 (2)
H16A	0.3704	0.3625	0.0307	0.102*
H16B	0.3088	0.3602	0.1632	0.102*
N1	0.2316 (11)	0.5540 (3)	0.4099 (6)	0.115 (3)
H1A	0.1329	0.5469	0.3661	0.172*
H1B	0.2083	0.5505	0.4870	0.172*
H1C	0.3177	0.5309	0.3909	0.172*
N2	0.2383 (8)	0.4300 (2)	0.0799 (5)	0.0758 (18)
H2A	0.2107	0.4403	0.0053	0.114*
H2B	0.3362	0.4475	0.1059	0.114*
H2C	0.1476	0.4378	0.1267	0.114*

	U11	U22	U33	U12	U13	U23
Co1	0.0607 (6)	0.0511 (5)	0.0628 (6)	0.0000 (5)	0.0052 (4)	−0.0041 (5)
Cl1	0.0673 (13)	0.1124 (17)	0.0931 (14)	0.0206 (13)	−0.0035 (11)	0.0131 (12)
Cl2	0.135 (2)	0.0655 (12)	0.0702 (12)	0.0041 (13)	0.0055 (13)	−0.0163 (10)
Cl3	0.0707 (13)	0.1058 (16)	0.0931 (14)	−0.0135 (13)	0.0222 (11)	−0.0084 (12)
Cl4	0.225 (3)	0.0497 (11)	0.0914 (15)	−0.0165 (16)	0.0130 (18)	−0.0131 (10)
C1	0.060 (5)	0.098 (6)	0.066 (5)	0.007 (5)	0.001 (4)	−0.013 (4)
C2	0.048 (5)	0.140 (8)	0.055 (4)	0.009 (6)	0.004 (4)	0.020 (5)
C3	0.068 (6)	0.082 (6)	0.097 (6)	−0.007 (5)	−0.017 (5)	0.030 (5)
C4	0.068 (6)	0.099 (7)	0.076 (5)	0.006 (5)	−0.005 (4)	−0.017 (5)
C5	0.059 (5)	0.104 (6)	0.043 (4)	0.009 (5)	0.007 (3)	0.006 (4)
C6	0.057 (5)	0.077 (5)	0.065 (5)	0.006 (4)	0.000 (4)	0.009 (4)
C7	0.101 (7)	0.099 (7)	0.095 (6)	−0.012 (6)	−0.019 (6)	0.013 (5)
C8	0.130 (9)	0.090 (7)	0.097 (6)	−0.034 (6)	−0.008 (6)	0.013 (5)
C9	0.056 (4)	0.063 (4)	0.049 (4)	−0.012 (4)	0.003 (3)	0.000 (3)
C10	0.062 (5)	0.060 (5)	0.065 (4)	−0.007 (4)	−0.007 (4)	0.019 (4)
C11	0.071 (5)	0.052 (4)	0.085 (5)	−0.007 (4)	0.002 (4)	−0.002 (4)
C12	0.066 (5)	0.083 (6)	0.050 (4)	−0.009 (4)	0.001 (4)	−0.016 (4)
C13	0.061 (5)	0.072 (5)	0.049 (4)	0.000 (4)	−0.009 (3)	0.014 (4)
C14	0.053 (4)	0.051 (4)	0.064 (4)	0.000 (4)	0.001 (4)	0.008 (3)
C15	0.077 (6)	0.066 (5)	0.115 (6)	−0.001 (5)	−0.010 (5)	0.007 (5)
C16	0.089 (6)	0.054 (5)	0.112 (6)	0.003 (5)	−0.011 (5)	−0.003 (4)
N1	0.177 (8)	0.066 (4)	0.103 (5)	−0.025 (5)	0.033 (5)	−0.003 (4)
N2	0.099 (5)	0.050 (4)	0.079 (4)	0.002 (3)	0.005 (4)	0.003 (3)

Co1—Cl4	2.229 (2)	C15—C16	1.451 (9)
Co1—Cl2	2.251 (2)	C16—N2	1.485 (8)
Co1—Cl1	2.272 (2)	C1—H1	0.931
Co1—Cl3	2.276 (2)	C2—H31	0.931
C1—C6	1.358 (9)	C3—H3	0.931
C1—C2	1.363 (10)	C4—H4	0.929
C2—C3	1.376 (10)	C5—H5	0.929
C3—C4	1.374 (10)	C7—H7A	0.970
C4—C5	1.377 (10)	C7—H7B	0.970
C5—C6	1.379 (10)	C8—H8A	0.968
C6—C7	1.519 (10)	C8—H8B	0.969
C7—C8	1.405 (9)	C9—H9	0.930
C8—N1	1.502 (9)	C10—H10	0.930
C9—C10	1.376 (8)	C11—H11	0.929
C9—C14	1.380 (8)	C12—H12	0.929
C10—C11	1.367 (9)	C13—H13	0.930
C11—C12	1.358 (9)	C15—H15A	0.970
C12—C13	1.368 (9)	C15—H15B	0.970
C13—C14	1.389 (8)	C16—H16A	0.970
C14—C15	1.510 (9)	C16—H16B	0.970
Cl4—Co1—Cl2	108.41 (8)	C16—C15—C14	114.6 (6)
Cl4—Co1—Cl1	107.67 (11)	C15—C16—N2	112.8 (7)
Cl2—Co1—Cl1	111.10 (9)	H5—C5—C4	119.6
Cl4—Co1—Cl3	110.19 (10)	H2A—N2—H2C	109.5
Cl2—Co1—Cl3	111.65 (9)	H2C—N2—H2B	109.4
Cl1—Co1—Cl3	107.75 (9)	H2A—N2—H2B	109.4
C6—C1—C2	122.0 (7)	C16—N2—H2A	109.4
C1—C2—C3	120.0 (7)	C16—N2—H2A	109.4
C4—C3—C2	119.1 (8)	C16—N2—H2B	109.5
C3—C4—C5	119.9 (8)	H1A—N1—C8	109.3
C4—C5—C6	120.9 (7)	H1B—N1—C8	109.4
C1—C6—C5	118.1 (7)	H1C—N1—C8	109.4
C1—C6—C7	118.9 (7)	H1A—N1—H1B	109.5
C5—C6—C7	123.0 (7)	H1B—N1—H1C	109.5
C8—C7—C6	114.3 (7)	H1A—N1—H1C	109.6
C7—C8—N1	112.5 (7)	C3—C4—H4	119.9
C10—C9—C14	120.6 (6)	C2—C3—H3	120.5
C11—C10—C9	120.3 (6)	C2—C1—H1	119.0
C12—C11—C10	119.6 (7)	H1—C1—C6	118.8
C11—C12—C13	121.0 (6)	C6—C7—H7B	108.5
C12—C13—C14	120.3 (6)	C6—C7—H7A	108.4
C9—C14—C13	118.2 (6)	C7—C8—H8B	108.9
C9—C14—C15	122.0 (6)	C7—C8—H8A	109.0
C13—C14—C15	119.7 (6)
C6—C1—C2—C3	−2.5 (12)	C14—C9—C10—C11	0.2 (11)
C1—C2—C3—C4	2.6 (12)	C9—C10—C11—C12	0.2 (11)
C2—C3—C4—C5	−2.0 (11)	C10—C11—C12—C13	−0.4 (11)
C3—C4—C5—C6	1.1 (11)	C11—C12—C13—C14	0.1 (11)
C2—C1—C6—C5	1.7 (11)	C10—C9—C14—C13	−0.5 (10)
C2—C1—C6—C7	178.3 (7)	C10—C9—C14—C15	177.3 (6)
C4—C5—C6—C1	−0.9 (11)	C12—C13—C14—C9	0.4 (10)
C4—C5—C6—C7	−177.4 (7)	C12—C13—C14—C15	−177.5 (7)
C1—C6—C7—C8	125.0 (9)	C9—C14—C15—C16	49.4 (10)
C5—C6—C7—C8	−58.6 (11)	C13—C14—C15—C16	−132.8 (8)
C6—C7—C8—N1	179.3 (7)	C14—C15—C16—N2	176.0 (6)

D—H···A	D—H	H···A	D···A	D—H···A
N2—H2C···Cl1i	0.89	2.62	3.445 (6)	156.
N2—H2A···Cl4ii	0.89	2.51	3.321 (6)	152.
N1—H1C···Cl3iii	0.89	2.42	3.291 (8)	167.
N1—H1B···Cl1	0.89	2.55	3.382 (7)	156.

Table 1

Selected bond lengths (Å)

Co1—Cl4	2.229 (2)
Co1—Cl2	2.251 (2)
Co1—Cl1	2.272 (2)
Co1—Cl3	2.276 (2)

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N2—H2C⋯Cl1i	0.89	2.62	3.445 (6)	156
N2—H2A⋯Cl4ii	0.89	2.51	3.321 (6)	152
N1—H1C⋯Cl3iii	0.89	2.42	3.291 (8)	167
N1—H1B⋯Cl1	0.89	2.55	3.382 (7)	156

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