Tetra-kis-(μ-benzoato-κO:O')bis{[4-(di-methyl-amino)-pyridine-κN]zinc(II)}.

In the centrosymmetric binuclear title complex, [Zn(2)(C(7)H(5)O(2))(4)(C(7)H(10)N(2))(2)], the Zn atoms [Zn⋯Zn = 3.0037 (6) Å] are bridged by four benzoate ligands. Each of the Zn atoms assumes an approximately square-pyramidal environment, with four O atoms in a plane and the pyridine N atom at the apical site.

Related literature

For the nucleophilic properties of 4-(dimethyl­amino)­pyridine (DMAP), see: Fu (2000 ▶). For complexes of DMAP, see: Tyrra et al. (2003 ▶) and for complexes of DMAP which exhibit luminescence, see: Araki et al. (2005 ▶). For Zn⋯Zn distances in related structures, see: Anirban et al. (2006 ▶); Han et al. (2009 ▶); Konidaris et al. (2009 ▶); Wang et al. (2008 ▶).

Experimental

Crystal data

[Zn2(C7H5O2)4(C7H10N2)2]

M = 859.56

Monoclinic,

a = 10.3146 (12) Å

b = 11.1558 (13) Å

c = 17.324 (2) Å

β = 95.616 (1)°

V = 1983.9 (4) Å3

Z = 2

Mo Kα radiation

μ = 1.27 mm−1

T = 296 K

0.30 × 0.30 × 0.20 mm

Data collection

Bruker SMART CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.702, T max = 0.786

10123 measured reflections

3515 independent reflections

2860 reflections with I > 2σ(I)

R int = 0.030

Refinement

R[F 2 > 2σ(F 2)] = 0.031

wR(F 2) = 0.066

S = 0.99

3515 reflections

255 parameters

H-atom parameters constrained

Δρmax = 0.27 e Å−3

Δρmin = −0.20 e Å−3

Data collection: SMART (Bruker, 2000 ▶); cell refinement: SAINT (Bruker, 2000 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536811001188/bq2273sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536811001188/bq2273Isup2.hkl

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

[Zn2(C7H5O2)4(C7H10N2)2]	F(000) = 888
Mr = 859.56	Dx = 1.439 Mg m−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 3350 reflections
a = 10.3146 (12) Å	θ = 2.4–24.2°
b = 11.1558 (13) Å	µ = 1.27 mm−1
c = 17.324 (2) Å	T = 296 K
β = 95.616 (1)°	Block, colorless
V = 1983.9 (4) Å3	0.30 × 0.30 × 0.20 mm
Z = 2

Bruker SMART CCD area-detector diffractometer	3515 independent reflections
Radiation source: fine-focus sealed tube	2860 reflections with I > 2σ(I)
graphite	Rint = 0.030
φ and ω scans	θmax = 25.1°, θmin = 2.4°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −12→12
Tmin = 0.702, Tmax = 0.786	k = −9→13
10123 measured reflections	l = −20→20

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)] = 0.031	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.066	H-atom parameters constrained
S = 0.99	w = 1/[σ2(Fo2) + (0.0188P)2 + 1.4303P] where P = (Fo2 + 2Fc2)/3
3515 reflections	(Δ/σ)max < 0.001
255 parameters	Δρmax = 0.27 e Å−3
0 restraints	Δρmin = −0.20 e Å−3

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.

	x	y	z	Uiso*/Ueq
Zn1	0.63121 (3)	−0.05006 (2)	0.028407 (16)	0.03192 (9)
C1	0.8975 (2)	−0.1390 (2)	0.00916 (15)	0.0405 (6)
H1	0.9011	−0.0714	−0.0220	0.049*
C2	1.0020 (2)	−0.2142 (2)	0.01489 (15)	0.0445 (7)
H2	1.0739	−0.1969	−0.0117	0.053*
C3	1.0015 (2)	−0.3180 (2)	0.06093 (15)	0.0412 (6)
C4	0.8891 (3)	−0.3349 (2)	0.09862 (16)	0.0504 (7)
H4	0.8824	−0.4014	0.1303	0.060*
C5	0.7892 (3)	−0.2544 (2)	0.08927 (16)	0.0478 (7)
H5	0.7159	−0.2691	0.1150	0.057*
C6	1.2169 (3)	−0.3787 (3)	0.0269 (2)	0.0689 (9)
H6A	1.1904	−0.3655	−0.0271	0.103*
H6B	1.2711	−0.4487	0.0326	0.103*
H6C	1.2649	−0.3104	0.0477	0.103*
C7	1.1030 (3)	−0.4980 (3)	0.1208 (2)	0.0769 (11)
H7A	1.0949	−0.4700	0.1725	0.115*
H7B	1.1833	−0.5412	0.1198	0.115*
H7C	1.0312	−0.5499	0.1047	0.115*
C8	0.5952 (2)	0.0937 (2)	−0.11840 (14)	0.0352 (6)
C9	0.6546 (2)	0.1572 (2)	−0.18291 (13)	0.0356 (6)
C10	0.7862 (3)	0.1480 (3)	−0.19036 (16)	0.0515 (7)
H10	0.8382	0.0994	−0.1564	0.062*
C11	0.8415 (3)	0.2103 (3)	−0.24778 (18)	0.0687 (9)
H11	0.9303	0.2033	−0.2524	0.082*
C12	0.7658 (4)	0.2825 (3)	−0.29808 (19)	0.0721 (10)
H12	0.8032	0.3253	−0.3363	0.086*
C13	0.6348 (4)	0.2911 (3)	−0.29167 (17)	0.0670 (9)
H13	0.5829	0.3389	−0.3262	0.080*
C14	0.5794 (3)	0.2289 (2)	−0.23407 (15)	0.0489 (7)
H14	0.4905	0.2357	−0.2299	0.059*
C15	0.5854 (3)	0.1832 (2)	0.08035 (14)	0.0388 (6)
C16	0.6088 (2)	0.2987 (2)	0.12389 (14)	0.0359 (6)
C17	0.7090 (3)	0.3097 (2)	0.18238 (16)	0.0513 (7)
H17	0.7658	0.2459	0.1933	0.062*
C18	0.7261 (3)	0.4143 (3)	0.22497 (17)	0.0609 (8)
H18	0.7924	0.4202	0.2652	0.073*
C19	0.6448 (3)	0.5083 (3)	0.2074 (2)	0.0686 (9)
H19	0.6551	0.5785	0.2362	0.082*
C20	0.5481 (3)	0.5007 (3)	0.1477 (2)	0.0739 (10)
H20	0.4950	0.5667	0.1351	0.089*
C21	0.5290 (3)	0.3959 (3)	0.10635 (18)	0.0550 (8)
H21	0.4621	0.3906	0.0664	0.066*
N1	0.78988 (18)	−0.15549 (18)	0.04532 (11)	0.0354 (5)
N2	1.1022 (2)	−0.3960 (2)	0.06836 (14)	0.0556 (6)
O1	0.67051 (17)	0.03548 (16)	−0.07120 (10)	0.0453 (5)
O2	0.47447 (17)	0.10480 (17)	−0.11606 (10)	0.0469 (5)
O3	0.67429 (19)	0.10512 (16)	0.08761 (11)	0.0518 (5)
O4	0.47960 (18)	0.17275 (17)	0.04000 (11)	0.0527 (5)

	U11	U22	U33	U12	U13	U23
Zn1	0.02949 (15)	0.03168 (16)	0.03423 (16)	0.00493 (12)	0.00125 (11)	−0.00011 (13)
C1	0.0364 (14)	0.0381 (15)	0.0468 (15)	0.0033 (11)	0.0032 (12)	0.0100 (12)
C2	0.0336 (14)	0.0471 (16)	0.0540 (17)	0.0053 (12)	0.0112 (12)	0.0081 (14)
C3	0.0379 (15)	0.0423 (16)	0.0426 (15)	0.0095 (12)	0.0006 (12)	0.0009 (12)
C4	0.0529 (17)	0.0440 (17)	0.0560 (17)	0.0136 (14)	0.0140 (14)	0.0212 (14)
C5	0.0425 (16)	0.0479 (18)	0.0554 (17)	0.0078 (13)	0.0165 (13)	0.0117 (14)
C6	0.0460 (18)	0.070 (2)	0.092 (3)	0.0233 (16)	0.0155 (17)	−0.0007 (19)
C7	0.078 (2)	0.058 (2)	0.094 (3)	0.0313 (18)	0.003 (2)	0.021 (2)
C8	0.0403 (15)	0.0335 (14)	0.0323 (13)	−0.0005 (11)	0.0054 (12)	−0.0039 (11)
C9	0.0431 (15)	0.0335 (14)	0.0309 (13)	−0.0023 (11)	0.0071 (11)	−0.0032 (11)
C10	0.0463 (17)	0.065 (2)	0.0439 (16)	−0.0012 (14)	0.0082 (13)	0.0045 (14)
C11	0.059 (2)	0.091 (3)	0.060 (2)	−0.0180 (19)	0.0240 (17)	−0.0015 (19)
C12	0.099 (3)	0.068 (2)	0.054 (2)	−0.024 (2)	0.029 (2)	0.0061 (17)
C13	0.099 (3)	0.053 (2)	0.0504 (19)	0.0054 (19)	0.0109 (18)	0.0174 (15)
C14	0.0572 (18)	0.0435 (17)	0.0468 (16)	0.0054 (14)	0.0098 (14)	0.0045 (13)
C15	0.0478 (16)	0.0354 (15)	0.0343 (14)	−0.0030 (12)	0.0100 (13)	−0.0027 (11)
C16	0.0393 (14)	0.0309 (14)	0.0375 (14)	−0.0026 (11)	0.0047 (11)	−0.0037 (11)
C17	0.0591 (18)	0.0380 (16)	0.0534 (17)	0.0031 (13)	−0.0116 (14)	−0.0005 (13)
C18	0.072 (2)	0.050 (2)	0.0552 (19)	−0.0074 (16)	−0.0186 (16)	−0.0095 (15)
C19	0.078 (2)	0.0427 (19)	0.083 (2)	−0.0012 (17)	−0.005 (2)	−0.0268 (17)
C20	0.068 (2)	0.0414 (18)	0.108 (3)	0.0141 (16)	−0.015 (2)	−0.0204 (19)
C21	0.0503 (17)	0.0445 (18)	0.067 (2)	0.0064 (14)	−0.0091 (15)	−0.0137 (15)
N1	0.0320 (11)	0.0343 (12)	0.0397 (12)	0.0057 (9)	0.0031 (9)	0.0040 (9)
N2	0.0487 (14)	0.0509 (15)	0.0678 (16)	0.0235 (12)	0.0091 (12)	0.0100 (13)
O1	0.0433 (10)	0.0516 (12)	0.0418 (10)	0.0097 (9)	0.0076 (8)	0.0137 (9)
O2	0.0357 (10)	0.0635 (13)	0.0419 (10)	0.0024 (9)	0.0070 (8)	0.0109 (9)
O3	0.0574 (12)	0.0360 (11)	0.0605 (12)	0.0055 (9)	−0.0017 (10)	−0.0124 (9)
O4	0.0491 (12)	0.0513 (12)	0.0553 (12)	−0.0048 (9)	−0.0062 (10)	−0.0180 (9)

Zn1—N1	2.0134 (19)	C9—C14	1.376 (3)
Zn1—O3	2.0390 (18)	C9—C10	1.380 (3)
Zn1—O1	2.0467 (16)	C10—C11	1.381 (4)
Zn1—O2i	2.0472 (17)	C10—H10	0.9300
Zn1—O4i	2.0782 (18)	C11—C12	1.373 (5)
Zn1—Zn1i	3.0037 (6)	C11—H11	0.9300
C1—N1	1.340 (3)	C12—C13	1.371 (5)
C1—C2	1.362 (3)	C12—H12	0.9300
C1—H1	0.9300	C13—C14	1.384 (4)
C2—C3	1.406 (4)	C13—H13	0.9300
C2—H2	0.9300	C14—H14	0.9300
C3—N2	1.351 (3)	C15—O4	1.243 (3)
C3—C4	1.398 (4)	C15—O3	1.262 (3)
C4—C5	1.364 (3)	C15—C16	1.500 (3)
C4—H4	0.9300	C16—C17	1.380 (3)
C5—N1	1.341 (3)	C16—C21	1.377 (4)
C5—H5	0.9300	C17—C18	1.382 (4)
C6—N2	1.456 (4)	C17—H17	0.9300
C6—H6A	0.9600	C18—C19	1.358 (4)
C6—H6B	0.9600	C18—H18	0.9300
C6—H6C	0.9600	C19—C20	1.367 (4)
C7—N2	1.456 (4)	C19—H19	0.9300
C7—H7A	0.9600	C20—C21	1.376 (4)
C7—H7B	0.9600	C20—H20	0.9300
C7—H7C	0.9600	C21—H21	0.9300
C8—O1	1.253 (3)	O2—Zn1i	2.0471 (17)
C8—O2	1.256 (3)	O4—Zn1i	2.0782 (18)
C8—C9	1.503 (3)
N1—Zn1—O3	106.79 (8)	C10—C9—C8	120.7 (2)
N1—Zn1—O1	99.78 (7)	C9—C10—C11	120.6 (3)
O3—Zn1—O1	88.67 (8)	C9—C10—H10	119.7
N1—Zn1—O2i	101.66 (8)	C11—C10—H10	119.7
O3—Zn1—O2i	89.18 (8)	C12—C11—C10	120.2 (3)
O1—Zn1—O2i	158.15 (7)	C12—C11—H11	119.9
N1—Zn1—O4i	95.29 (8)	C10—C11—H11	119.9
O3—Zn1—O4i	157.92 (8)	C13—C12—C11	119.6 (3)
O1—Zn1—O4i	88.25 (8)	C13—C12—H12	120.2
O2i—Zn1—O4i	85.61 (8)	C11—C12—H12	120.2
N1—Zn1—Zn1i	163.45 (6)	C12—C13—C14	120.2 (3)
O3—Zn1—Zn1i	89.66 (5)	C12—C13—H13	119.9
O1—Zn1—Zn1i	78.28 (5)	C14—C13—H13	119.9
O2i—Zn1—Zn1i	79.97 (5)	C9—C14—C13	120.7 (3)
O4i—Zn1—Zn1i	68.30 (5)	C9—C14—H14	119.7
N1—C1—C2	124.6 (2)	C13—C14—H14	119.7
N1—C1—H1	117.7	O4—C15—O3	125.5 (2)
C2—C1—H1	117.7	O4—C15—C16	116.9 (2)
C1—C2—C3	120.1 (2)	O3—C15—C16	117.6 (2)
C1—C2—H2	119.9	C17—C16—C21	118.7 (2)
C3—C2—H2	119.9	C17—C16—C15	121.2 (2)
N2—C3—C4	122.2 (2)	C21—C16—C15	120.1 (2)
N2—C3—C2	122.6 (2)	C16—C17—C18	121.0 (3)
C4—C3—C2	115.2 (2)	C16—C17—H17	119.5
C5—C4—C3	120.5 (2)	C18—C17—H17	119.5
C5—C4—H4	119.8	C19—C18—C17	119.2 (3)
C3—C4—H4	119.8	C19—C18—H18	120.4
N1—C5—C4	124.3 (2)	C17—C18—H18	120.4
N1—C5—H5	117.9	C18—C19—C20	120.7 (3)
C4—C5—H5	117.9	C18—C19—H19	119.6
N2—C6—H6A	109.5	C20—C19—H19	119.6
N2—C6—H6B	109.5	C19—C20—C21	120.2 (3)
H6A—C6—H6B	109.5	C19—C20—H20	119.9
N2—C6—H6C	109.5	C21—C20—H20	119.9
H6A—C6—H6C	109.5	C20—C21—C16	120.2 (3)
H6B—C6—H6C	109.5	C20—C21—H21	119.9
N2—C7—H7A	109.5	C16—C21—H21	119.9
N2—C7—H7B	109.5	C1—N1—C5	115.4 (2)
H7A—C7—H7B	109.5	C1—N1—Zn1	123.41 (16)
N2—C7—H7C	109.5	C5—N1—Zn1	120.93 (16)
H7A—C7—H7C	109.5	C3—N2—C6	121.4 (2)
H7B—C7—H7C	109.5	C3—N2—C7	121.3 (2)
O1—C8—O2	125.7 (2)	C6—N2—C7	117.2 (2)
O1—C8—C9	117.2 (2)	C8—O1—Zn1	129.10 (16)
O2—C8—C9	117.1 (2)	C8—O2—Zn1i	126.60 (16)
C14—C9—C10	118.7 (2)	C15—O3—Zn1	114.55 (17)
C14—C9—C8	120.5 (2)	C15—O4—Zn1i	141.85 (18)

Table 1

Selected bond lengths (Å)

Zn1—N1	2.0134 (19)
Zn1—O3	2.0390 (18)
Zn1—O1	2.0467 (16)
Zn1—O2i	2.0472 (17)
Zn1—O4i	2.0782 (18)

Symmetry code: (i) .