catena-Poly[[(2,9-dimethyl-1,10-phenanthroline-κ2N,N′)(nitrato-κ2O,O′)cobalt(II)]-μ-dicyanamido-κ2N1:N5]

Wang, Y.-Y.; Liu, T.-F.

doi:10.1107/S1600536807030279

catena-Poly[[(2,9-dimethyl-1,10-phenanthroline-κ²N,N′)(nitrato-κ²O,O′)cobalt(II)]-μ-dicyanamido-κ²N¹:N⁵]

The title compound, [Co(C₂N₃)(NO₃)(C₁₄H₁₂N₂)]_n, exhibits a zigzag chain structure. The Co^II atom has a slightly distorted octahedral geometry formed by two N atoms of a 2,9-dimethyl-1,10-phenanthroline ligand, two N atoms from two different dicyanamide ligands and two O atoms of a nitrate anion. A one-dimensional chain is formed through the dicyanamides, which act as end-to-end bridging ligands. The chains are linked into a three-dimensional network via weak C—H

O hydrogen bonds.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807030279/hy2068sup1.cif Contains datablocks I, global
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536807030279/hy2068Isup2.hkl Contains datablock I

CCDC reference: 654815

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Key indicators

Single-crystal X-ray study
T = 153 K
Mean (C-C) = 0.004 Å
R factor = 0.033
wR factor = 0.098
Data-to-parameter ratio = 16.0

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT241_ALERT_2_B Check High      Ueq as Compared to Neighbors for         N3

Alert level C
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C15
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C16

Alert level G
PLAT794_ALERT_5_G Check Predicted Bond Valency for Co          (2)       1.79

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   2 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

Comment top

Due to the stabilization of relatively strong magnetic coupling, multi-dimensional coordination polymers consisting of transition metal ions and dicyanamide ligand are currently being studied (Batten & Murray, 2003). Although the addition of ancillary ligands (e.g. pyridine, pyrazine, pyrimidine, 2,2'-bipyrimidine, 4,4'-bipyridine and 2,2'-bipyridine, etc.) into these binary systems frequently alters the bridging mode of the dicyanamide ligand from µ-1,3 to µ-1,5 and therefore leads to a paramagnetic behavior, a wide variety of molecular architectures subsequently obtained conduce to establish a better understanding of the relationship between structure and magnetic behavior (Burčák et al., 2004; Potočňák et al., 2002; Vangdal et al., 2002; Wu et al., 2003). Here we describe the structure of an end-to-end dicyanamide-bridged cobalt(II) complex, (I), incorporating 2,9-dimethyl-1,10-phenanthroline (dmphen) as an ancillay ligand.

The structure of compound (I) consists of well isolated chains of Co^II atoms bridged by end-to-end dicyanamide ligands (Fig.1). In the chain structure, each Co^II atom is coordinated by one dmphen ligand, one nitrate anion and two dicyanamide ligands in an octahedral geometry. The Co—N bond distances are in the range of 2.069 (2) to 2.123 (2)Å (Table 1). The nitrate ion binds in a bidentate fashion and the distances of Co—O are 2.1466 (17) and 2.2268 (18) Å. The shortest Co···Co distance is 7.169 (7)Å in the chain and 7.348 (2)Å between the chains.

An N1—O1···Cg(aryl ring) interaction is observed [Cg is the centroid of the ring C5, C6, C7, C8, C9 and C10 at 1/2 - x, 1/2 + y, 1/2 - z) with O1···Cg = 3.296 Å. No significant π–π interaction between the dmphen rings is observed (the shortest centroid-to-centroid distance is 4.364 Å). The weak C—H···O hydrogen bonds link the chains into a three-dimensional structure (Fig. 2, Table 2).

Related literature top

For general background, see: Batten & Murray (2003); Burčák et al. (2004); Potočňák et al. (2002); Vangdal et al. (2002); Wu et al. (2003).

Experimental top

Co(NO₃)₂.6H₂O (0.073 g, 0.25 mmol) and sodium dicyanamide (0.022 g, 0.25 mmol) were dissolved in water (10 ml). A methanol solution (10 ml) of dmphen (0.052 g, 0.25 mmol) was added with continuous stirring. The resulting solution was filtrated and allowed to slowly evaporate at room temperature. After one month, red single crystals suitable for X-ray diffraction appeared. The crystals were collected, washed with water and dried in air (0.059 g, yield 60%). IR (KBr, cm^-1): 2318 (ms), 2293 (ms), 2269 (ms), 2247 (m), 2211 (s), 2180 (s).

Structure description top

For general background, see: Batten & Murray (2003); Burčák et al. (2004); Potočňák et al. (2002); Vangdal et al. (2002); Wu et al. (2003).

Computing details top

Data collection: SMART (Bruker, 2003); cell refinement: SAINT (Bruker, 2003); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 2003); software used to prepare material for publication: SHELXTL.

Figures top

	Fig. 1. The structure of (I), showing the Co^II coordination. Displacement ellipsoids are drawn at the 30% probability level. [Symmetry codes: (i) 1/2 - x, 1/2 + y, 1/2 - z; (ii) 1/2 - x, -1/2 + y, 1/2 - z.]
	Fig. 2. Hydrogen bonds (dashed lines) between neighboring chains create a three-dimensional structure.

catena-Poly[[(2,9-dimethyl-1,10-phenanthroline-κ²N,N')(nitrato- κ²O,O')cobalt(II)]-µ-dicyanamido-κ²N¹:N⁵] top

Crystal data top

[Co(C₂N₃)(NO₃)(C₁₄H₁₂N₂)]	F(000) = 804
M_r = 395.25	D_x = 1.583 Mg m⁻³
Monoclinic, P2₁/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 16421 reflections
a = 7.3481 (15) Å	θ = 3.4–27.5°
b = 13.925 (3) Å	µ = 1.07 mm⁻¹
c = 16.531 (3) Å	T = 153 K
β = 101.42 (3)°	Block, red
V = 1658.0 (6) Å³	0.20 × 0.15 × 0.10 mm
Z = 4

Data collection top

Bruker KappaCCD area-detector diffractometer	3784 independent reflections
Radiation source: sealed tube	2450 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.022
ω scans	θ_max = 27.5°, θ_min = 3.6°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −9→9
T_min = 0.815, T_max = 0.901	k = −18→18
7407 measured reflections	l = −21→21

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)] = 0.033	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.098	H-atom parameters constrained
S = 0.94	w = 1/[σ²(F_o²) + (0.0613P)²] where P = (F_o² + 2F_c²)/3
3784 reflections	(Δ/σ)_max < 0.001
237 parameters	Δρ_max = 0.44 e Å⁻³
0 restraints	Δρ_min = −0.32 e Å⁻³

Crystal data top

[Co(C₂N₃)(NO₃)(C₁₄H₁₂N₂)]	V = 1658.0 (6) Å³
M_r = 395.25	Z = 4
Monoclinic, P2₁/n	Mo Kα radiation
a = 7.3481 (15) Å	µ = 1.07 mm⁻¹
b = 13.925 (3) Å	T = 153 K
c = 16.531 (3) Å	0.20 × 0.15 × 0.10 mm
β = 101.42 (3)°

Data collection top

Bruker KappaCCD area-detector diffractometer	3784 independent reflections
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	2450 reflections with I > 2σ(I)
T_min = 0.815, T_max = 0.901	R_int = 0.022
7407 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.033	0 restraints
wR(F²) = 0.098	H-atom parameters constrained
S = 0.94	Δρ_max = 0.44 e Å⁻³
3784 reflections	Δρ_min = −0.32 e Å⁻³
237 parameters

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

	x	y	z	U_iso*/U_eq
Co	0.17457 (4)	0.86364 (2)	0.203521 (18)	0.03941 (12)
C1	0.5626 (4)	0.9754 (2)	0.1736 (2)	0.0718 (8)
H1A	0.5790	0.9478	0.2278	0.108*
H1B	0.4717	1.0257	0.1684	0.108*
H1C	0.6785	1.0013	0.1653	0.108*
C2	0.4981 (3)	0.8998 (2)	0.11066 (16)	0.0550 (6)
C3	0.5930 (4)	0.8817 (2)	0.0460 (2)	0.0689 (8)
H3	0.6973	0.9178	0.0419	0.083*
C4	0.5327 (4)	0.8119 (2)	−0.01033 (18)	0.0710 (9)
H4	0.5974	0.7997	−0.0522	0.085*
C5	0.3748 (4)	0.75839 (19)	−0.00591 (15)	0.0564 (7)
C6	0.2852 (3)	0.77972 (16)	0.05976 (13)	0.0432 (5)
C7	0.3025 (5)	0.6845 (2)	−0.06323 (16)	0.0685 (9)
H7	0.3640	0.6690	−0.1055	0.082*
C8	0.1478 (5)	0.63745 (19)	−0.05684 (16)	0.0683 (9)
H8	0.1021	0.5905	−0.0956	0.082*
C9	0.0506 (4)	0.65740 (17)	0.00819 (15)	0.0544 (7)
C10	0.1201 (3)	0.72828 (15)	0.06690 (13)	0.0422 (5)
C11	−0.1105 (4)	0.60941 (19)	0.01902 (18)	0.0640 (8)
H11	−0.1647	0.5638	−0.0194	0.077*
C12	−0.1875 (4)	0.62898 (18)	0.08485 (19)	0.0644 (8)
H12	−0.2918	0.5951	0.0927	0.077*
C13	−0.1113 (3)	0.69973 (17)	0.14120 (15)	0.0498 (6)
C14	−0.1931 (4)	0.7203 (2)	0.21529 (18)	0.0675 (8)
H14A	−0.2027	0.7884	0.2219	0.101*
H14B	−0.1148	0.6936	0.2635	0.101*
H14C	−0.3144	0.6919	0.2081	0.101*
C15	0.0563 (3)	1.05722 (17)	0.12152 (13)	0.0429 (5)
C16	0.1296 (4)	1.20845 (18)	0.16598 (16)	0.0506 (6)
N1	0.1251 (3)	0.97749 (16)	0.32013 (12)	0.0586 (6)
N2	0.0411 (3)	0.97627 (14)	0.12771 (12)	0.0497 (5)
N3	0.0722 (4)	1.14768 (15)	0.10658 (14)	0.0778 (8)
N4	0.1824 (3)	1.26809 (16)	0.21111 (13)	0.0608 (6)
N5	0.3482 (3)	0.84869 (13)	0.11715 (12)	0.0433 (5)
N6	0.0384 (2)	0.74995 (12)	0.13134 (11)	0.0398 (4)
O1	0.0919 (3)	1.03262 (17)	0.37294 (13)	0.0953 (8)
O2	0.0128 (3)	0.91132 (14)	0.29068 (11)	0.0593 (5)
O3	0.2731 (3)	0.98178 (13)	0.29219 (11)	0.0595 (5)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Co	0.0450 (2)	0.03348 (18)	0.03892 (18)	−0.00008 (14)	0.00622 (13)	−0.00058 (13)
C1	0.0499 (17)	0.0674 (19)	0.098 (2)	−0.0148 (14)	0.0133 (16)	−0.0054 (17)
C2	0.0438 (15)	0.0568 (15)	0.0646 (16)	0.0035 (12)	0.0112 (13)	0.0095 (13)
C3	0.0508 (17)	0.079 (2)	0.082 (2)	0.0055 (15)	0.0261 (15)	0.0217 (17)
C4	0.076 (2)	0.084 (2)	0.0608 (18)	0.0249 (18)	0.0327 (16)	0.0142 (16)
C5	0.0659 (17)	0.0580 (16)	0.0472 (14)	0.0186 (14)	0.0160 (13)	0.0087 (12)
C6	0.0515 (14)	0.0397 (12)	0.0372 (12)	0.0117 (11)	0.0063 (11)	0.0031 (10)
C7	0.105 (3)	0.0627 (19)	0.0404 (14)	0.0280 (18)	0.0199 (16)	−0.0004 (13)
C8	0.111 (3)	0.0458 (16)	0.0421 (14)	0.0168 (17)	−0.0005 (16)	−0.0048 (12)
C9	0.077 (2)	0.0366 (13)	0.0416 (13)	0.0102 (12)	−0.0073 (13)	0.0002 (10)
C10	0.0514 (14)	0.0315 (11)	0.0399 (12)	0.0059 (10)	−0.0004 (10)	0.0000 (9)
C11	0.079 (2)	0.0379 (14)	0.0621 (17)	−0.0032 (14)	−0.0180 (16)	−0.0042 (12)
C12	0.0582 (17)	0.0427 (15)	0.084 (2)	−0.0113 (13)	−0.0060 (16)	0.0039 (14)
C13	0.0478 (15)	0.0369 (13)	0.0602 (15)	−0.0010 (11)	0.0001 (12)	0.0078 (11)
C14	0.0626 (18)	0.0605 (18)	0.084 (2)	−0.0099 (14)	0.0253 (16)	0.0085 (15)
C15	0.0458 (14)	0.0410 (14)	0.0391 (12)	−0.0005 (10)	0.0018 (10)	0.0000 (10)
C16	0.0627 (16)	0.0350 (13)	0.0492 (14)	−0.0038 (12)	−0.0003 (12)	0.0057 (11)
N1	0.0713 (17)	0.0570 (14)	0.0440 (12)	0.0149 (12)	0.0030 (12)	−0.0053 (10)
N2	0.0554 (13)	0.0367 (12)	0.0545 (12)	0.0012 (9)	0.0051 (10)	0.0024 (9)
N3	0.128 (2)	0.0393 (13)	0.0535 (14)	−0.0122 (13)	−0.0121 (15)	0.0048 (11)
N4	0.0799 (17)	0.0452 (13)	0.0506 (12)	−0.0086 (11)	−0.0034 (12)	0.0024 (10)
N5	0.0407 (11)	0.0412 (11)	0.0475 (11)	0.0039 (9)	0.0077 (9)	0.0024 (9)
N6	0.0428 (11)	0.0325 (10)	0.0419 (10)	0.0005 (8)	0.0033 (9)	0.0017 (8)
O1	0.1099 (19)	0.0995 (18)	0.0737 (14)	0.0292 (14)	0.0117 (13)	−0.0411 (13)
O2	0.0649 (12)	0.0634 (12)	0.0513 (10)	−0.0039 (10)	0.0160 (9)	−0.0018 (9)
O3	0.0559 (11)	0.0576 (12)	0.0617 (11)	0.0011 (9)	0.0039 (10)	−0.0098 (8)

Geometric parameters (Å, º) top

Co—N4ⁱ	2.069 (2)	C8—C9	1.431 (4)
Co—N5	2.105 (2)	C8—H8	0.9300
Co—N6	2.1116 (18)	C9—C11	1.402 (4)
Co—N2	2.123 (2)	C9—C10	1.407 (3)
Co—O2	2.1466 (17)	C10—N6	1.357 (3)
Co—O3	2.2268 (18)	C11—C12	1.350 (4)
C1—C2	1.490 (4)	C11—H11	0.9300
C1—H1A	0.9600	C12—C13	1.395 (4)
C1—H1B	0.9600	C12—H12	0.9300
C1—H1C	0.9600	C13—N6	1.340 (3)
C2—N5	1.333 (3)	C13—C14	1.495 (3)
C2—C3	1.409 (4)	C14—H14A	0.9600
C3—C4	1.359 (4)	C14—H14B	0.9600
C3—H3	0.9300	C14—H14C	0.9600
C4—C5	1.393 (4)	C15—N2	1.139 (3)
C4—H4	0.9300	C15—N3	1.293 (3)
C5—C6	1.408 (3)	C16—N4	1.132 (3)
C5—C7	1.428 (4)	C16—N3	1.302 (3)
C6—N5	1.365 (3)	N1—O1	1.223 (3)
C6—C10	1.433 (3)	N1—O3	1.264 (3)
C7—C8	1.334 (4)	N1—O2	1.268 (3)
C7—H7	0.9300	N4—Coⁱⁱ	2.069 (2)

N4ⁱ—Co—N5	96.01 (8)	C7—C8—H8	119.2
N4ⁱ—Co—N6	91.33 (8)	C9—C8—H8	119.2
N5—Co—N6	79.97 (7)	C11—C9—C10	116.5 (2)
N4ⁱ—Co—N2	172.30 (8)	C11—C9—C8	124.3 (3)
N5—Co—N2	86.78 (8)	C10—C9—C8	119.2 (3)
N6—Co—N2	96.23 (8)	N6—C10—C9	122.7 (2)
N4ⁱ—Co—O2	90.87 (8)	N6—C10—C6	117.84 (19)
N5—Co—O2	167.53 (7)	C9—C10—C6	119.4 (2)
N6—Co—O2	110.34 (7)	C12—C11—C9	120.4 (2)
N2—Co—O2	85.14 (7)	C12—C11—H11	119.8
N4ⁱ—Co—O3	88.35 (8)	C9—C11—H11	119.8
N5—Co—O3	110.97 (7)	C11—C12—C13	120.3 (3)
N6—Co—O3	169.04 (7)	C11—C12—H12	119.9
N2—Co—O3	83.96 (8)	C13—C12—H12	119.9
O2—Co—O3	58.71 (7)	N6—C13—C12	121.2 (2)
C2—C1—H1A	109.5	N6—C13—C14	118.2 (2)
C2—C1—H1B	109.5	C12—C13—C14	120.6 (2)
H1A—C1—H1B	109.5	C13—C14—H14A	109.5
C2—C1—H1C	109.5	C13—C14—H14B	109.5
H1A—C1—H1C	109.5	H14A—C14—H14B	109.5
H1B—C1—H1C	109.5	C13—C14—H14C	109.5
N5—C2—C3	120.4 (3)	H14A—C14—H14C	109.5
N5—C2—C1	118.3 (2)	H14B—C14—H14C	109.5
C3—C2—C1	121.3 (2)	N2—C15—N3	174.2 (3)
C4—C3—C2	120.3 (3)	N4—C16—N3	172.5 (3)
C4—C3—H3	119.9	O1—N1—O3	122.6 (3)
C2—C3—H3	119.9	O1—N1—O2	121.6 (2)
C3—C4—C5	120.6 (3)	O3—N1—O2	115.82 (19)
C3—C4—H4	119.7	C15—N2—Co	137.9 (2)
C5—C4—H4	119.7	C15—N3—C16	121.1 (2)
C4—C5—C6	116.7 (3)	C16—N4—Coⁱⁱ	169.3 (2)
C4—C5—C7	123.7 (3)	C2—N5—C6	119.5 (2)
C6—C5—C7	119.6 (3)	C2—N5—Co	128.54 (17)
N5—C6—C5	122.5 (2)	C6—N5—Co	111.90 (15)
N5—C6—C10	118.09 (19)	C13—N6—C10	118.8 (2)
C5—C6—C10	119.4 (2)	C13—N6—Co	129.13 (16)
C8—C7—C5	120.8 (3)	C10—N6—Co	112.11 (14)
C8—C7—H7	119.6	N1—O2—Co	94.46 (14)
C5—C7—H7	119.6	N1—O3—Co	90.83 (14)
C7—C8—C9	121.6 (3)

N5—C2—C3—C4	−0.1 (4)	N2—Co—N5—C2	81.6 (2)
C1—C2—C3—C4	179.4 (3)	O2—Co—N5—C2	31.9 (5)
C2—C3—C4—C5	1.1 (4)	O3—Co—N5—C2	−0.7 (2)
C3—C4—C5—C6	−0.9 (4)	N4ⁱ—Co—N5—C6	92.44 (16)
C3—C4—C5—C7	179.5 (3)	N6—Co—N5—C6	2.15 (14)
C4—C5—C6—N5	−0.4 (4)	N2—Co—N5—C6	−94.76 (16)
C7—C5—C6—N5	179.3 (2)	O2—Co—N5—C6	−144.4 (3)
C4—C5—C6—C10	179.0 (2)	O3—Co—N5—C6	−177.03 (14)
C7—C5—C6—C10	−1.4 (3)	C12—C13—N6—C10	−2.6 (3)
C4—C5—C7—C8	−178.3 (3)	C14—C13—N6—C10	176.3 (2)
C6—C5—C7—C8	2.1 (4)	C12—C13—N6—Co	177.26 (18)
C5—C7—C8—C9	−1.3 (4)	C14—C13—N6—Co	−3.8 (3)
C7—C8—C9—C11	−178.9 (3)	C9—C10—N6—C13	2.3 (3)
C7—C8—C9—C10	−0.1 (4)	C6—C10—N6—C13	−177.1 (2)
C11—C9—C10—N6	0.3 (3)	C9—C10—N6—Co	−177.60 (17)
C8—C9—C10—N6	−178.6 (2)	C6—C10—N6—Co	3.1 (2)
C11—C9—C10—C6	179.6 (2)	N4ⁱ—Co—N6—C13	81.5 (2)
C8—C9—C10—C6	0.8 (3)	N5—Co—N6—C13	177.3 (2)
N5—C6—C10—N6	−1.3 (3)	N2—Co—N6—C13	−97.05 (19)
C5—C6—C10—N6	179.4 (2)	O2—Co—N6—C13	−9.9 (2)
N5—C6—C10—C9	179.4 (2)	O3—Co—N6—C13	−6.7 (5)
C5—C6—C10—C9	0.0 (3)	N4ⁱ—Co—N6—C10	−98.67 (15)
C10—C9—C11—C12	−2.6 (4)	N5—Co—N6—C10	−2.80 (15)
C8—C9—C11—C12	176.2 (3)	N2—Co—N6—C10	82.81 (16)
C9—C11—C12—C13	2.4 (4)	O2—Co—N6—C10	169.91 (14)
C11—C12—C13—N6	0.3 (4)	O3—Co—N6—C10	173.2 (3)
C11—C12—C13—C14	−178.6 (3)	O1—N1—O2—Co	176.7 (2)
N5—Co—N2—C15	−89.6 (3)	O3—N1—O2—Co	−4.1 (2)
N6—Co—N2—C15	−169.1 (3)	N4ⁱ—Co—O2—N1	90.02 (15)
O2—Co—N2—C15	80.9 (3)	N5—Co—O2—N1	−33.6 (4)
O3—Co—N2—C15	21.9 (3)	N6—Co—O2—N1	−178.24 (13)
C3—C2—N5—C6	−1.2 (4)	N2—Co—O2—N1	−83.39 (15)
C1—C2—N5—C6	179.3 (2)	O3—Co—O2—N1	2.48 (13)
C3—C2—N5—Co	−177.25 (19)	O1—N1—O3—Co	−176.8 (2)
C1—C2—N5—Co	3.2 (3)	O2—N1—O3—Co	4.0 (2)
C5—C6—N5—C2	1.4 (3)	N4ⁱ—Co—O3—N1	−94.50 (14)
C10—C6—N5—C2	−177.9 (2)	N5—Co—O3—N1	169.70 (13)
C5—C6—N5—Co	178.11 (18)	N6—Co—O3—N1	−6.0 (4)
C10—C6—N5—Co	−1.2 (2)	N2—Co—O3—N1	85.49 (14)
N4ⁱ—Co—N5—C2	−91.2 (2)	O2—Co—O3—N1	−2.48 (13)
N6—Co—N5—C2	178.5 (2)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
C14—H14A···O2	0.96	2.45	3.190 (4)	133
C12—H12···O1ⁱⁱⁱ	0.93	2.54	3.455 (4)	169
C7—H7···O2^iv	0.93	2.48	3.388 (3)	167

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

Experimental details

Crystal data
Chemical formula	[Co(C₂N₃)(NO₃)(C₁₄H₁₂N₂)]
M_r	395.25
Crystal system, space group	Monoclinic, P2₁/n
Temperature (K)	153
a, b, c (Å)	7.3481 (15), 13.925 (3), 16.531 (3)
β (°)	101.42 (3)
V (Å³)	1658.0 (6)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	1.07
Crystal size (mm)	0.20 × 0.15 × 0.10

Data collection
Diffractometer	Bruker KappaCCD area-detector
Absorption correction	Multi-scan (SADABS; Sheldrick, 1996)
T_min, T_max	0.815, 0.901
No. of measured, independent and observed [I > 2σ(I)] reflections	7407, 3784, 2450
R_int	0.022
(sin θ/λ)_max (Å⁻¹)	0.649

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.033, 0.098, 0.94
No. of reflections	3784
No. of parameters	237
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.44, −0.32

Computer programs: SMART (Bruker, 2003), SAINT (Bruker, 2003), SAINT, SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), SHELXTL (Bruker, 2003), SHELXTL.

Selected bond lengths (Å) top

Co—N4ⁱ	2.069 (2)	Co—N2	2.123 (2)
Co—N5	2.105 (2)	Co—O2	2.1466 (17)
Co—N6	2.1116 (18)	Co—O3	2.2268 (18)

Symmetry code: (i) −x+1/2, y−1/2, −z+1/2.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
C14—H14A···O2	0.96	2.45	3.190 (4)	133
C12—H12···O1ⁱⁱ	0.93	2.54	3.455 (4)	169
C7—H7···O2ⁱⁱⁱ	0.93	2.48	3.388 (3)	167

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

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