cis-Chlorido(ethyl­amine)­bis­(propane-1,3-diamine)­cobalt(III) dichloride

Maheshwaran, V.; Thiruselvam, V.; Manjunathan, M.; Anbalagan, K.; Ponnuswamy, M.N.G.

doi:10.1107/S1600536813004650

metal-organic compounds

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ISSN: 2056-9890

Volume 69| Part 3| March 2013| Pages m170-m171

doi:10.1107/S1600536813004650

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cis-Chlorido(ethylamine)bis(propane-1,3-diamine)cobalt(III) dichloride

Velusamy Maheshwaran,^a Viswanathan Thiruselvam,^a Munisamy Manjunathan,^b Krishnamoorthy Anbalagan ^b and Mondikalipudur Nanjappa Gounder Ponnuswamy ^a ^*

^aCentre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India, and ^bDepartment of Chemistry, Pondicherry University, Pondicherry 605 014, India
^*Correspondence e-mail: mnpsy2004@yahoo.com

(Received 5 February 2013; accepted 18 February 2013; online 23 February 2013)

In the title compound, [CoCl(C₂H₇N)(C₃H₁₀N₂)₂]Cl₂, the Co^III ion has a distorted octahedral coordination environment and is surrounded by four N atoms in the equatorial plane, with the other N and Cl atoms occupying the axial positions. The crystal packing is stabilized by N—H⋯Cl hydrogen bonds, forming a layered arrangement parallel to (1-10).

Related literature

For supramolecular structures, see: Desiraju (1995 ); Khlobystov et al. (2001 ); Lehn (1995 ); Seo et al. (2000 ). For Co^III complexes, see: Chang et al. (2010 ). For related and comparable structures, see: Anbalagan et al. (2009 ); Lee et al. (2007 ); Ramesh et al. (2008 ); Ravichandran et al. (2009 ). For the preparation of (1,3-diaminopropane)cobalt(III), see: Bailar & Work (1946 ).

Experimental

Crystal data

[CoCl(C₂H₇N)(C₃H₁₀N₂)₂]Cl₂
M_r = 358.63
Triclinic, $[P \overline 1]$
a = 7.8847 (4) Å
b = 8.0627 (4) Å
c = 12.6526 (5) Å
α = 102.780 (3)°
β = 99.936 (4)°
γ = 92.580 (4)°
V = 769.76 (6) Å³
Z = 2
Mo Kα radiation
μ = 1.62 mm⁻¹
T = 293 K
0.45 × 0.35 × 0.35 mm

Data collection

Oxford Diffraction Xcalibur Eos diffractometer
Absorption correction: multi-scan (CrysAlis PRO; Oxford Diffraction, 2009 $[Oxford Diffraction (2009). CrysAlis CCD, CrysAlis RED and CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, Oxfordshire, England.]$ ) T_min = 0.600, T_max = 1.000
4965 measured reflections
2711 independent reflections
2299 reflections with I > 2σ(I)
R_int = 0.018

Refinement

R[F² > 2σ(F²)] = 0.025
wR(F²) = 0.060
S = 0.99
2711 reflections
194 parameters
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.30 e Å⁻³
Δρ_min = −0.35 e Å⁻³

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N2—H2D⋯Cl2ⁱ	0.84 (2)	2.77 (2)	3.5033 (19)	145.6 (18)
N3—H3C⋯Cl2ⁱ	0.79 (2)	2.49 (2)	3.275 (2)	168 (2)
N1—H1D⋯Cl2ⁱⁱ	0.82 (2)	2.52 (2)	3.3278 (19)	173.2 (18)
N3—H3D⋯Cl2ⁱⁱ	0.87 (2)	2.72 (2)	3.472 (2)	145.6 (18)
N4—H4C⋯Cl3ⁱⁱⁱ	0.88 (2)	2.40 (2)	3.261 (2)	163.7 (19)
N5—H5D⋯Cl3ⁱⁱⁱ	0.82 (2)	2.57 (2)	3.329 (2)	154 (2)
Symmetry codes: (i) x, y+1, z; (ii) -x+2, -y+1, -z+2; (iii) -x+1, -y+1, -z+1.

Data collection: CrysAlis CCD (Oxford Diffraction, 2009 $[Oxford Diffraction (2009). CrysAlis CCD, CrysAlis RED and CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, Oxfordshire, England.]$ ); cell refinement: CrysAlis RED (Oxford Diffraction, 2009 $[Oxford Diffraction (2009). CrysAlis CCD, CrysAlis RED and CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, Oxfordshire, England.]$ ); data reduction: CrysAlis RED; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 2012 ) and PLATON (Spek, 2009 ); software used to prepare material for publication: PLATON.

Supporting information

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536813004650/bt6888sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536813004650/bt6888Isup2.hkl

checkCIF report

Comment top

In recent years, considerable effort has been dedicated to the design and synthesis of supramolecular architectures of coordination complexes (Lehn, 1995; Khlobystov et al.,2001). The primary reason for the interest in such complexes is their new and versatile topologies and potential applications in functional materials (Desiraju, 1995; Seo et al., 2000).

The interaction of transition metal polyamine complexes of cobalt(III) with DNA has received considerable attention in the recent years. Using mixed ligand complexes, it is possible to systematically vary parameters of interest by changing the properties of the interacting units either by the use of suitable substituents or simply by changing the nature of ancillary ligand.

In addition, cobalt(III) complexes have received a sustained high level of attention due to their relevance in various redox processes in biological systems and act as promising agents for antitumor, anthelmintic, antiparasitic, antibiotic and antimicrobial activities, as well as their multiple applications in fields of medicine and drug delivery (Chang et al., 2010). Against this background and to ascertain the molecular structure and conformation of the title compound, the crystal structure determination has been carried out.

The ORTEP plot of the molecule is shown in Fig. 1. The molecular geometry is not a perfect octahedron. The metal centre is surrounded by four N atoms in an equatorial plane, with the other N and Cl atoms occupying the axial positions.

The bond lengths [Co—N] and [Co—Cl] are comparable with the values reported in the literature (Lee et al., 2007; Ramesh et al., 2008; Anbalagan et al., 2009; Ravichandran et al., 2009).

The packing of the molecules viewed down the a axis is shown in Fig. 2. The packing is stabilized by N—H···Cl and N—H···N types of inter- and intramolecular interaction.

Related literature top

For supermolecular structures, see: Desiraju (1995); Khlobystov et al. (2001); Lehn (1995); Seo et al. (2000). For Co^III complexes, see: Chang et al. (2010). For related and comparable structures, see: Anbalagan et al. (2009); Lee et al. (2007); Ramesh et al. (2008); Ravichandran et al. (2009). For the preparation of (1,3-diaminopropane)cobalt(III), see: Bailar & Work (1946).

Experimental top

2 grams of trans-[Co^III(tn)2Cl₂]Cl solid was made in the path using 3–4 drops of water. To the solid mass, about 0.12M ethyl amine (EtNH₂) was dropped for 20 min and mixed well. The grinding was continued until the colour turned dull green to red (Bailar & Work, 1946). The reaction mixture was set aside until no further change was observed and the product was allowed to stand overnight. Finally, the solid was washed. The final solid was dissolved in 5–10 ml of water pre-heated to 70°C and allowed to crystallize using hot acidified water. Finally Microcrystalline pink color crystal was retrieved (yield 0.85 g). The crystals were filtered, washed with ethanol and dried over vacuum. X-ray quality crystals were obtained by recrystallization from hot acidified distilled water.

Computing details top

Data collection: CrysAlis CCD (Oxford Diffraction, 2009); cell refinement: CrysAlis RED (Oxford Diffraction, 2009); data reduction: CrysAlis RED (Oxford Diffraction, 2009); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 2012) and PLATON (Spek, 2009); software used to prepare material for publication: PLATON (Spek, 2009).

Figures top

	Fig. 1. The molecular structure of the title compound, showing the atomic numbering and displacement ellipsoids drawn at 30% probability level.
	Fig. 2. The packing of the molecules viewed down a axis.

cis-Chlorido(ethylamine)bis(propane-1,3-diamine)cobalt(III) dichloride top

Crystal data top

[CoCl(C₂H₇N)(C₃H₁₀N₂)₂]Cl₂	Z = 2
M_r = 358.63	F(000) = 376
Triclinic, P1	D_x = 1.547 Mg m⁻³
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 7.8847 (4) Å	Cell parameters from 2784 reflections
b = 8.0627 (4) Å	θ = 3.4–29.0°
c = 12.6526 (5) Å	µ = 1.62 mm⁻¹
α = 102.780 (3)°	T = 293 K
β = 99.936 (4)°	Block, yellow
γ = 92.580 (4)°	0.45 × 0.35 × 0.35 mm
V = 769.76 (6) Å³

Data collection top

Oxford Diffraction Xcalibur Eos diffractometer	2711 independent reflections
Radiation source: fine-focus sealed tube	2299 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.018
ω scans	θ_max = 25.0°, θ_min = 2.8°
Absorption correction: multi-scan (CrysAlis PRO; Oxford Diffraction, 2009)	h = −9→9
T_min = 0.600, T_max = 1.000	k = −9→9
4965 measured reflections	l = −15→12

Refinement top

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)] = 0.025	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.060	H atoms treated by a mixture of independent and constrained refinement
S = 0.99	w = 1/[σ²(F_o²) + (0.036P)²] where P = (F_o² + 2F_c²)/3
2711 reflections	(Δ/σ)_max = 0.001
194 parameters	Δρ_max = 0.30 e Å⁻³
0 restraints	Δρ_min = −0.35 e Å⁻³

Crystal data top

[CoCl(C₂H₇N)(C₃H₁₀N₂)₂]Cl₂	γ = 92.580 (4)°
M_r = 358.63	V = 769.76 (6) Å³
Triclinic, P1	Z = 2
a = 7.8847 (4) Å	Mo Kα radiation
b = 8.0627 (4) Å	µ = 1.62 mm⁻¹
c = 12.6526 (5) Å	T = 293 K
α = 102.780 (3)°	0.45 × 0.35 × 0.35 mm
β = 99.936 (4)°

Data collection top

Oxford Diffraction Xcalibur Eos diffractometer	2711 independent reflections
Absorption correction: multi-scan (CrysAlis PRO; Oxford Diffraction, 2009)	2299 reflections with I > 2σ(I)
T_min = 0.600, T_max = 1.000	R_int = 0.018
4965 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.025	0 restraints
wR(F²) = 0.060	H atoms treated by a mixture of independent and constrained refinement
S = 0.99	Δρ_max = 0.30 e Å⁻³
2711 reflections	Δρ_min = −0.35 e Å⁻³
194 parameters

Special details top

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

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
C1	0.7176 (3)	0.6154 (3)	0.98937 (17)	0.0278 (5)
H1A	0.7705	0.6146	1.0644	0.033*
H1B	0.6287	0.5210	0.9632	0.033*
C2	0.6360 (3)	0.7792 (3)	0.98931 (16)	0.0289 (5)
H2A	0.7265	0.8717	1.0056	0.035*
H2B	0.5691	0.8005	1.0477	0.035*
C3	0.5193 (3)	0.7803 (3)	0.88121 (16)	0.0253 (5)
H3A	0.4308	0.6858	0.8637	0.030*
H3B	0.4622	0.8853	0.8896	0.030*
C4	1.0645 (3)	0.9053 (3)	0.74479 (16)	0.0364 (6)
H4A	1.1607	0.8388	0.7295	0.044*
H4B	1.1112	1.0209	0.7820	0.044*
C5	0.9486 (4)	0.9081 (3)	0.63747 (19)	0.0460 (7)
H5A	0.8456	0.9630	0.6526	0.055*
H5B	1.0082	0.9744	0.5975	0.055*
C6	0.8976 (3)	0.7309 (3)	0.56745 (17)	0.0359 (6)
H6A	0.8494	0.7373	0.4927	0.043*
H6B	0.9996	0.6683	0.5650	0.043*
C7	0.4777 (3)	0.3755 (3)	0.7108 (2)	0.0333 (5)
H7A	0.4207	0.4316	0.6557	0.040*
H7B	0.4483	0.4289	0.7811	0.040*
C8	0.4119 (3)	0.1879 (3)	0.6799 (2)	0.0432 (7)
H8A	0.2888	0.1776	0.6750	0.065*
H8B	0.4656	0.1326	0.7353	0.065*
H8C	0.4396	0.1349	0.6100	0.065*
N1	0.8505 (2)	0.5908 (2)	0.91895 (14)	0.0205 (4)
N2	0.6139 (2)	0.7664 (2)	0.78807 (14)	0.0202 (4)
N3	0.9726 (3)	0.8316 (2)	0.81887 (14)	0.0210 (4)
N4	0.7690 (3)	0.6375 (3)	0.61050 (14)	0.0223 (4)
N5	0.6662 (2)	0.3992 (2)	0.71863 (16)	0.0222 (4)
Cl1	1.03872 (7)	0.47044 (7)	0.74016 (4)	0.03006 (14)
Cl2	0.79985 (7)	0.17837 (6)	0.92229 (4)	0.02905 (14)
Cl3	0.36383 (7)	0.73553 (7)	0.55285 (4)	0.03125 (14)
Co1	0.80944 (3)	0.62246 (3)	0.766006 (19)	0.01506 (9)
H2C	0.543 (3)	0.741 (3)	0.7294 (17)	0.024 (6)*
H3C	0.926 (3)	0.908 (3)	0.8502 (17)	0.020 (7)*
H3D	1.052 (3)	0.797 (3)	0.8632 (17)	0.022 (6)*
H4D	0.685 (3)	0.678 (3)	0.5978 (17)	0.019 (7)*
H1C	0.882 (3)	0.490 (3)	0.9103 (16)	0.020 (6)*
H4C	0.756 (3)	0.532 (3)	0.5693 (16)	0.020 (6)*
H2D	0.652 (3)	0.867 (3)	0.7894 (17)	0.030 (7)*
H5D	0.693 (3)	0.360 (3)	0.659 (2)	0.037 (7)*
H1D	0.937 (3)	0.652 (3)	0.9535 (17)	0.024 (6)*
H5C	0.717 (3)	0.339 (3)	0.763 (2)	0.042 (8)*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
C1	0.0319 (13)	0.0330 (12)	0.0235 (11)	0.0038 (10)	0.0115 (10)	0.0120 (10)
C2	0.0376 (14)	0.0307 (12)	0.0203 (11)	0.0054 (10)	0.0138 (10)	0.0030 (9)
C3	0.0241 (12)	0.0242 (11)	0.0291 (11)	0.0077 (9)	0.0117 (9)	0.0033 (9)
C4	0.0341 (14)	0.0469 (15)	0.0264 (12)	−0.0202 (12)	0.0066 (11)	0.0086 (11)
C5	0.0562 (17)	0.0496 (16)	0.0346 (13)	−0.0224 (14)	0.0048 (12)	0.0233 (12)
C6	0.0319 (13)	0.0576 (16)	0.0186 (11)	−0.0099 (12)	0.0059 (10)	0.0113 (11)
C7	0.0252 (12)	0.0287 (12)	0.0428 (13)	−0.0039 (10)	0.0049 (11)	0.0037 (10)
C8	0.0386 (15)	0.0320 (14)	0.0556 (16)	−0.0137 (11)	0.0004 (13)	0.0130 (12)
N1	0.0189 (10)	0.0188 (10)	0.0230 (9)	0.0011 (8)	0.0022 (8)	0.0047 (8)
N2	0.0198 (10)	0.0212 (10)	0.0184 (9)	0.0030 (8)	0.0005 (8)	0.0039 (8)
N3	0.0210 (10)	0.0211 (10)	0.0206 (9)	−0.0018 (8)	0.0032 (8)	0.0051 (8)
N4	0.0196 (11)	0.0259 (11)	0.0188 (9)	−0.0004 (9)	0.0013 (8)	0.0021 (8)
N5	0.0224 (10)	0.0205 (9)	0.0213 (10)	−0.0017 (8)	0.0027 (8)	0.0016 (8)
Cl1	0.0230 (3)	0.0349 (3)	0.0332 (3)	0.0107 (2)	0.0084 (2)	0.0057 (2)
Cl2	0.0321 (3)	0.0204 (3)	0.0321 (3)	−0.0007 (2)	0.0000 (2)	0.0061 (2)
Cl3	0.0277 (3)	0.0351 (3)	0.0248 (3)	0.0028 (2)	0.0000 (2)	−0.0022 (2)
Co1	0.01382 (15)	0.01541 (15)	0.01497 (15)	0.00020 (10)	0.00225 (10)	0.00205 (10)

Geometric parameters (Å, º) top

C1—N1	1.481 (3)	C7—H7A	0.9700
C1—C2	1.495 (3)	C7—H7B	0.9700
C1—H1A	0.9700	C8—H8A	0.9600
C1—H1B	0.9700	C8—H8B	0.9600
C2—C3	1.513 (3)	C8—H8C	0.9600
C2—H2A	0.9700	N1—Co1	1.9811 (17)
C2—H2B	0.9700	N1—H1C	0.85 (2)
C3—N2	1.486 (2)	N1—H1D	0.82 (2)
C3—H3A	0.9700	N2—Co1	1.9921 (18)
C3—H3B	0.9700	N2—H2C	0.83 (2)
C4—N3	1.483 (2)	N2—H2D	0.84 (2)
C4—C5	1.506 (3)	N3—Co1	1.9887 (17)
C4—H4A	0.9700	N3—H3C	0.79 (2)
C4—H4B	0.9700	N3—H3D	0.87 (2)
C5—C6	1.502 (3)	N4—Co1	1.9698 (18)
C5—H5A	0.9700	N4—H4D	0.76 (2)
C5—H5B	0.9700	N4—H4C	0.88 (2)
C6—N4	1.482 (3)	N5—Co1	1.9953 (16)
C6—H6A	0.9700	N5—H5D	0.82 (2)
C6—H6B	0.9700	N5—H5C	0.88 (3)
C7—N5	1.474 (3)	Cl1—Co1	2.2591 (6)
C7—C8	1.519 (3)

N1—C1—C2	112.37 (17)	H8B—C8—H8C	109.5
N1—C1—H1A	109.1	C1—N1—Co1	122.70 (14)
C2—C1—H1A	109.1	C1—N1—H1C	111.0 (14)
N1—C1—H1B	109.1	Co1—N1—H1C	102.2 (13)
C2—C1—H1B	109.1	C1—N1—H1D	106.7 (15)
H1A—C1—H1B	107.9	Co1—N1—H1D	108.1 (14)
C1—C2—C3	113.66 (17)	H1C—N1—H1D	105 (2)
C1—C2—H2A	108.8	C3—N2—Co1	124.93 (14)
C3—C2—H2A	108.8	C3—N2—H2C	108.5 (15)
C1—C2—H2B	108.8	Co1—N2—H2C	106.5 (15)
C3—C2—H2B	108.8	C3—N2—H2D	106.4 (15)
H2A—C2—H2B	107.7	Co1—N2—H2D	105.9 (16)
N2—C3—C2	112.96 (17)	H2C—N2—H2D	102 (2)
N2—C3—H3A	109.0	C4—N3—Co1	122.95 (13)
C2—C3—H3A	109.0	C4—N3—H3C	105.6 (15)
N2—C3—H3B	109.0	Co1—N3—H3C	109.9 (15)
C2—C3—H3B	109.0	C4—N3—H3D	105.5 (14)
H3A—C3—H3B	107.8	Co1—N3—H3D	100.6 (14)
N3—C4—C5	112.45 (18)	H3C—N3—H3D	112 (2)
N3—C4—H4A	109.1	C6—N4—Co1	120.95 (14)
C5—C4—H4A	109.1	C6—N4—H4D	105.3 (16)
N3—C4—H4B	109.1	Co1—N4—H4D	109.1 (16)
C5—C4—H4B	109.1	C6—N4—H4C	105.5 (13)
H4A—C4—H4B	107.8	Co1—N4—H4C	107.6 (13)
C6—C5—C4	111.3 (2)	H4D—N4—H4C	108 (2)
C6—C5—H5A	109.4	C7—N5—Co1	125.65 (15)
C4—C5—H5A	109.4	C7—N5—H5D	110.9 (17)
C6—C5—H5B	109.4	Co1—N5—H5D	100.9 (16)
C4—C5—H5B	109.4	C7—N5—H5C	109.0 (16)
H5A—C5—H5B	108.0	Co1—N5—H5C	103.4 (16)
N4—C6—C5	111.91 (19)	H5D—N5—H5C	105 (2)
N4—C6—H6A	109.2	N4—Co1—N1	176.20 (8)
C5—C6—H6A	109.2	N4—Co1—N3	94.63 (7)
N4—C6—H6B	109.2	N1—Co1—N3	88.27 (8)
C5—C6—H6B	109.2	N4—Co1—N2	88.57 (8)
H6A—C6—H6B	107.9	N1—Co1—N2	93.94 (7)
N5—C7—C8	111.9 (2)	N3—Co1—N2	89.27 (9)
N5—C7—H7A	109.2	N4—Co1—N5	88.27 (8)
C8—C7—H7A	109.2	N1—Co1—N5	88.62 (8)
N5—C7—H7B	109.2	N3—Co1—N5	173.98 (9)
C8—C7—H7B	109.2	N2—Co1—N5	96.09 (8)
H7A—C7—H7B	107.9	N4—Co1—Cl1	90.49 (7)
C7—C8—H8A	109.5	N1—Co1—Cl1	87.13 (6)
C7—C8—H8B	109.5	N3—Co1—Cl1	88.21 (7)
H8A—C8—H8B	109.5	N2—Co1—Cl1	177.23 (6)
C7—C8—H8C	109.5	N5—Co1—Cl1	86.49 (6)
H8A—C8—H8C	109.5

N1—C1—C2—C3	70.5 (2)	C1—N1—Co1—N5	−75.46 (17)
C1—C2—C3—N2	−64.4 (2)	C1—N1—Co1—Cl1	−162.02 (16)
N3—C4—C5—C6	−68.7 (3)	C4—N3—Co1—N4	−20.0 (2)
C4—C5—C6—N4	73.7 (3)	C4—N3—Co1—N1	157.5 (2)
C2—C1—N1—Co1	−48.3 (2)	C4—N3—Co1—N2	−108.52 (19)
C2—C3—N2—Co1	37.7 (2)	C4—N3—Co1—Cl1	70.34 (19)
C5—C4—N3—Co1	43.3 (3)	C3—N2—Co1—N4	161.39 (17)
C5—C6—N4—Co1	−51.5 (3)	C3—N2—Co1—N1	−15.75 (17)
C8—C7—N5—Co1	−175.91 (15)	C3—N2—Co1—N3	−103.96 (17)
C6—N4—Co1—N3	23.7 (2)	C3—N2—Co1—N5	73.28 (17)
C6—N4—Co1—N2	112.81 (19)	C7—N5—Co1—N4	−89.73 (19)
C6—N4—Co1—N5	−151.1 (2)	C7—N5—Co1—N1	92.47 (19)
C6—N4—Co1—Cl1	−64.58 (19)	C7—N5—Co1—N2	−1.35 (19)
C1—N1—Co1—N3	109.69 (17)	C7—N5—Co1—Cl1	179.67 (18)
C1—N1—Co1—N2	20.54 (17)

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
N2—H2D···Cl2ⁱ	0.84 (2)	2.77 (2)	3.5033 (19)	145.6 (18)
N3—H3C···Cl2ⁱ	0.79 (2)	2.49 (2)	3.275 (2)	168 (2)
N1—H1D···Cl2ⁱⁱ	0.82 (2)	2.52 (2)	3.3278 (19)	173.2 (18)
N3—H3D···Cl2ⁱⁱ	0.87 (2)	2.72 (2)	3.472 (2)	145.6 (18)
N4—H4C···Cl3ⁱⁱⁱ	0.88 (2)	2.40 (2)	3.261 (2)	163.7 (19)
N5—H5D···Cl3ⁱⁱⁱ	0.82 (2)	2.57 (2)	3.329 (2)	154 (2)

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

Experimental details

Crystal data
Chemical formula	[CoCl(C₂H₇N)(C₃H₁₀N₂)₂]Cl₂
M_r	358.63
Crystal system, space group	Triclinic, P1
Temperature (K)	293
a, b, c (Å)	7.8847 (4), 8.0627 (4), 12.6526 (5)
α, β, γ (°)	102.780 (3), 99.936 (4), 92.580 (4)
V (Å³)	769.76 (6)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	1.62
Crystal size (mm)	0.45 × 0.35 × 0.35

Data collection
Diffractometer	Oxford Diffraction Xcalibur Eos diffractometer
Absorption correction	Multi-scan (CrysAlis PRO; Oxford Diffraction, 2009)
T_min, T_max	0.600, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections	4965, 2711, 2299
R_int	0.018
(sin θ/λ)_max (Å⁻¹)	0.594

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.025, 0.060, 0.99
No. of reflections	2711
No. of parameters	194
H-atom treatment	H atoms treated by a mixture of independent and constrained refinement
Δρ_max, Δρ_min (e Å⁻³)	0.30, −0.35

Computer programs: CrysAlis CCD (Oxford Diffraction, 2009), CrysAlis RED (Oxford Diffraction, 2009), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), ORTEP-3 for Windows (Farrugia, 2012) and PLATON (Spek, 2009), PLATON (Spek, 2009).

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
N2—H2D···Cl2ⁱ	0.84 (2)	2.77 (2)	3.5033 (19)	145.6 (18)
N3—H3C···Cl2ⁱ	0.79 (2)	2.49 (2)	3.275 (2)	168 (2)
N1—H1D···Cl2ⁱⁱ	0.82 (2)	2.52 (2)	3.3278 (19)	173.2 (18)
N3—H3D···Cl2ⁱⁱ	0.87 (2)	2.72 (2)	3.472 (2)	145.6 (18)
N4—H4C···Cl3ⁱⁱⁱ	0.88 (2)	2.40 (2)	3.261 (2)	163.7 (19)
N5—H5D···Cl3ⁱⁱⁱ	0.82 (2)	2.57 (2)	3.329 (2)	154 (2)

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

Acknowledgements

KA is thankful to the CSIR, New Delhi (Lr: No. 01 (2570)/12/EMR-II/3.4.2012) for financial support through a major research project. The authors are thankful to the Department of Chemistry, Pondicherry University, for the single-crystal XRD instrumentation facility.

References

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