Bis(2-amino-pyrazine-κN)dichlorido-zinc.

In the title adduct, [ZnCl(2)(C(4)H(5)N(3))(2)], the Zn(II) atom lies on a twofold rotation axis that relates one Cl atom to the other as well as one 2-amino-pyrazine ligand to the other; the coordination geometry is a distorted tetra-hedron. In the crystal, adjacent mol-ecules are linked by N-H⋯N hydrogen bonds across the center of inversion, generating a chain; neighboring chains are linked by N-H⋯Cl hydrogen bonds, forming a three-dimensional network.

Related literature

For a related compound, CoCl2(C4H5N3)4, see: Kang et al. (2009 ▶).

Experimental

Crystal data

[ZnCl2(C4H5N3)2]

M = 326.49

Monoclinic,

a = 17.1445 (12) Å

b = 6.1660 (4) Å

c = 12.0198 (8) Å

β = 98.608 (2)°

V = 1256.34 (15) Å3

Z = 4

Mo Kα radiation

μ = 2.37 mm−1

T = 293 K

0.35 × 0.30 × 0.15 mm

Data collection

Rigaku R-AXIS RAPID IP diffractometer

Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ▶) T min = 0.491, T max = 0.718

5769 measured reflections

1432 independent reflections

1350 reflections with I > 2σ(I)

R int = 0.029

Refinement

R[F 2 > 2σ(F 2)] = 0.024

wR(F 2) = 0.066

S = 1.06

1432 reflections

84 parameters

2 restraints

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 0.32 e Å−3

Δρmin = −0.32 e Å−3

Data collection: RAPID-AUTO (Rigaku, 1998 ▶); cell refinement: RAPID-AUTO; data reduction: CrystalClear (Rigaku/MSC, 2002 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: X-SEED (Barbour, 2001 ▶); software used to prepare material for publication: publCIF (Westrip, 2010 ▶).

Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536811026031/xu5256sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811026031/xu5256Isup2.hkl

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

[ZnCl2(C4H5N3)2]	F(000) = 656
Mr = 326.49	Dx = 1.726 Mg m−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 5413 reflections
a = 17.1445 (12) Å	θ = 3.4–27.5°
b = 6.1660 (4) Å	µ = 2.37 mm−1
c = 12.0198 (8) Å	T = 293 K
β = 98.608 (2)°	Prism, colorless
V = 1256.34 (15) Å3	0.35 × 0.30 × 0.15 mm
Z = 4

Rigaku R-AXIS RAPID IP diffractometer	1432 independent reflections
Radiation source: fine-focus sealed tube	1350 reflections with I > 2σ(I)
graphite	Rint = 0.029
ω scans	θmax = 27.5°, θmin = 3.4°
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	h = −22→22
Tmin = 0.491, Tmax = 0.718	k = −7→7
5769 measured reflections	l = −15→15

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)] = 0.024	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.066	H atoms treated by a mixture of independent and constrained refinement
S = 1.06	w = 1/[σ2(Fo2) + (0.0415P)2 + 0.3611P] where P = (Fo2 + 2Fc2)/3
1432 reflections	(Δ/σ)max = 0.001
84 parameters	Δρmax = 0.32 e Å−3
2 restraints	Δρmin = −0.32 e Å−3

	x	y	z	Uiso*/Ueq
Zn1	0.5000	0.04567 (4)	0.2500	0.03073 (11)
Cl1	0.44416 (2)	−0.15067 (7)	0.37370 (3)	0.04100 (13)
N1	0.63303 (10)	0.7312 (3)	0.48482 (17)	0.0590 (5)
H1	0.6731 (12)	0.808 (4)	0.516 (2)	0.088*
H2	0.5858 (9)	0.779 (5)	0.486 (2)	0.088*
N2	0.71831 (9)	0.4959 (3)	0.41464 (14)	0.0431 (3)
N3	0.59049 (7)	0.2453 (2)	0.31966 (11)	0.0330 (3)
C1	0.66520 (10)	0.1889 (3)	0.30962 (16)	0.0439 (4)
H1A	0.6746	0.0646	0.2698	0.053*
C2	0.72731 (10)	0.3139 (3)	0.35775 (17)	0.0456 (4)
H2A	0.7782	0.2698	0.3504	0.055*
C3	0.57962 (10)	0.4231 (3)	0.37660 (14)	0.0352 (3)
H3	0.5287	0.4646	0.3850	0.042*
C4	0.64450 (10)	0.5519 (2)	0.42521 (15)	0.0380 (4)

	U11	U22	U33	U12	U13	U23
Zn1	0.02308 (15)	0.02663 (16)	0.04198 (17)	0.000	0.00323 (10)	0.000
Cl1	0.0322 (2)	0.0426 (2)	0.0489 (2)	0.00146 (16)	0.00822 (16)	0.01054 (17)
N1	0.0411 (9)	0.0467 (9)	0.0853 (12)	−0.0010 (8)	−0.0031 (8)	−0.0283 (9)
N2	0.0292 (7)	0.0403 (7)	0.0577 (9)	−0.0066 (6)	−0.0007 (6)	−0.0060 (7)
N3	0.0265 (6)	0.0298 (6)	0.0422 (6)	−0.0028 (5)	0.0035 (5)	−0.0027 (5)
C1	0.0301 (8)	0.0404 (9)	0.0617 (10)	−0.0027 (7)	0.0086 (7)	−0.0139 (8)
C2	0.0257 (8)	0.0477 (9)	0.0636 (11)	−0.0030 (7)	0.0070 (7)	−0.0081 (8)
C3	0.0261 (8)	0.0330 (7)	0.0460 (8)	0.0003 (6)	0.0034 (6)	−0.0016 (6)
C4	0.0350 (9)	0.0320 (8)	0.0450 (9)	−0.0022 (6)	−0.0008 (7)	−0.0023 (6)

Zn1—N3	2.0576 (12)	N2—C4	1.336 (2)
Zn1—N3i	2.0576 (12)	N3—C3	1.320 (2)
Zn1—Cl1	2.2403 (4)	N3—C1	1.350 (2)
Zn1—Cl1i	2.2403 (4)	C1—C2	1.371 (2)
N1—C4	1.348 (2)	C1—H1A	0.9300
N1—H1	0.87 (1)	C2—H2A	0.9300
N1—H2	0.87 (1)	C3—C4	1.419 (2)
N2—C2	1.335 (2)	C3—H3	0.9300
N3—Zn1—N3i	106.52 (7)	N3—C1—C2	120.33 (16)
N3—Zn1—Cl1	115.10 (4)	N3—C1—H1A	119.8
N3i—Zn1—Cl1	102.85 (4)	C2—C1—H1A	119.8
N3—Zn1—Cl1i	102.85 (4)	N2—C2—C1	123.16 (17)
N3i—Zn1—Cl1i	115.10 (4)	N2—C2—H2A	118.4
Cl1—Zn1—Cl1i	114.58 (2)	C1—C2—H2A	118.4
C4—N1—H1	120.5 (19)	N3—C3—C4	121.01 (15)
C4—N1—H2	120 (2)	N3—C3—H3	119.5
H1—N1—H2	119 (3)	C4—C3—H3	119.5
C2—N2—C4	116.72 (15)	N2—C4—N1	118.57 (16)
C3—N3—C1	118.01 (14)	N2—C4—C3	120.76 (15)
C3—N3—Zn1	123.46 (11)	N1—C4—C3	120.67 (17)
C1—N3—Zn1	118.50 (10)
N3i—Zn1—N3—C3	41.52 (11)	C4—N2—C2—C1	1.2 (3)
Cl1—Zn1—N3—C3	−71.75 (13)	N3—C1—C2—N2	−1.0 (3)
Cl1i—Zn1—N3—C3	162.95 (12)	C1—N3—C3—C4	0.4 (2)
N3i—Zn1—N3—C1	−140.45 (14)	Zn1—N3—C3—C4	178.43 (12)
Cl1—Zn1—N3—C1	106.28 (13)	C2—N2—C4—N1	178.12 (19)
Cl1i—Zn1—N3—C1	−19.02 (13)	C2—N2—C4—C3	−0.7 (3)
C3—N3—C1—C2	0.1 (3)	N3—C3—C4—N2	−0.1 (3)
Zn1—N3—C1—C2	−178.02 (15)	N3—C3—C4—N1	−178.88 (17)

D—H···A	D—H	H···A	D···A	D—H···A
N1—H1···N2ii	0.87 (1)	2.27 (1)	3.141 (2)	176 (3)
N1—H2···Cl1iii	0.87 (1)	2.63 (2)	3.392 (2)	147 (2)

Table 1

Selected bond lengths (Å)

Zn1—N3	2.0576 (12)
Zn1—Cl1	2.2403 (4)

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N1—H1⋯N2i	0.87 (1)	2.27 (1)	3.141 (2)	176 (3)
N1—H2⋯Cl1ii	0.87 (1)	2.63 (2)	3.392 (2)	147 (2)

Symmetry codes: (i) ; (ii) .