metal-organic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

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ISSN: 2056-9890

(4,4′-Di­methyl-2,2′-bi­pyridine-κ2N,N′)(di­methyl sulfoxide-κO)di­iodidozinc(II)

aIslamic Azad University, Shahr-e-Rey Branch, Tehran, Iran
*Correspondence e-mail: myousefi50@yahoo.com

(Received 4 November 2010; accepted 11 November 2010; online 17 November 2010)

In the title compound, [ZnI2(C12H12N2)(C2H6OS)], the ZnII ion is coordinated by two N atoms from a 4,4′-dimethyl-2,2′-bipyridine ligand, one O atom from a dimethyl sulfoxide mol­ecule and two I atoms in a distorted trigonal-bipyramidal geometry. Intra­molecular C—H⋯O hydrogen bonds and inter­molecular ππ stacking inter­actions between the pyridine rings [centroid–centroid distances = 3.637 (4) and 3.818 (4) Å] are present in the crystal structure.

Related literature

For metal complexes of 4,4′-dimethyl-2,2′-bipyridine, see: Ahmadi et al. (2008[Ahmadi, R., Kalateh, K., Abedi, A., Amani, V. & Khavasi, H. R. (2008). Acta Cryst. E64, m1306-m1307.]); Alizadeh et al. (2010[Alizadeh, R., Mohammadi Eshlaghi, P. & Amani, V. (2010). Acta Cryst. E66, m996.]); Amani et al. (2009[Amani, V., Safari, N., Notash, B. & Khavasi, H. R. (2009). J. Coord. Chem. 62, 1939-1950.]); Bellusci et al. (2008[Bellusci, A., Crispini, A., Pucci, D., Szerb, E. I. & Ghedini, M. (2008). Cryst. Growth Des. 8, 3114-3122.]); Hojjat Kashani et al. (2008[Hojjat Kashani, L., Amani, V., Yousefi, M. & Khavasi, H. R. (2008). Acta Cryst. E64, m905-m906.]); Kalateh et al. (2008[Kalateh, K., Ebadi, A., Ahmadi, R., Amani, V. & Khavasi, H. R. (2008). Acta Cryst. E64, m1397-m1398.], 2010[Kalateh, K., Ahmadi, R. & Amani, V. (2010). Acta Cryst. E66, m512.]); Sakamoto et al. (2004[Sakamoto, J., Yoshikawa, N., Takashima, H., Tsukahara, K., Kanehisa, N., Kai, Y. & Matsumura, K. (2004). Acta Cryst. E60, m352-m353.]); Sofetis et al. (2006[Sofetis, A., Raptopoulou, C. P., Terzis, A. & Zafiropoulos, T. F. (2006). Inorg. Chim. Acta, 359, 3389-3395.]); Willett et al. (2001[Willett, R. D., Pon, G. & Nagy, C. (2001). Inorg. Chem. 40, 4342-4352.]); Yoshikawa et al. (2003[Yoshikawa, N., Sakamoto, J., Kanehisa, N., Kai, Y. & Matsumura-Inoue (2003). Acta Cryst. E59, m155-m156.]); Yousefi et al. (2008[Yousefi, M., Tadayon Pour, N., Amani, V. & Khavasi, H. R. (2008). Acta Cryst. E64, m1259.]).

[Scheme 1]

Experimental

Crystal data
  • [ZnI2(C12H12N2)(C2H6OS)]

  • Mr = 581.56

  • Monoclinic, P 21 /c

  • a = 8.6173 (7) Å

  • b = 15.5424 (11) Å

  • c = 14.8976 (10) Å

  • β = 102.908 (6)°

  • V = 1944.9 (3) Å3

  • Z = 4

  • Mo Kα radiation

  • μ = 4.54 mm−1

  • T = 298 K

  • 0.40 × 0.20 × 0.10 mm

Data collection
  • Bruker APEX CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.350, Tmax = 0.636

  • 21034 measured reflections

  • 5243 independent reflections

  • 4246 reflections with I > 2σ(I)

  • Rint = 0.113

Refinement
  • R[F2 > 2σ(F2)] = 0.076

  • wR(F2) = 0.202

  • S = 1.20

  • 5243 reflections

  • 191 parameters

  • H-atom parameters constrained

  • Δρmax = 2.11 e Å−3

  • Δρmin = −2.87 e Å−3

Table 1
Selected bond lengths (Å)

Zn1—N1 2.135 (5)
Zn1—N2 2.167 (6)
Zn1—O1 2.112 (5)
Zn1—I1 2.6199 (9)
Zn1—I2 2.6944 (9)

Table 2
Hydrogen-bond geometry (Å, °)

D—H⋯A D—H H⋯A DA D—H⋯A
C1—H1⋯O1 0.93 2.41 2.938 (9) 116

Data collection: SMART (Bruker, 2007[Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXTL; molecular graphics: ORTEP-3 (Farrugia, 1997[Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.]); software used to prepare material for publication: WinGX (Farrugia, 1999[Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.]).

Supporting information


Comment top

4,4'-Dimethyl-2,2'-bipyridine (4,4'-dmbipy) is a good bidentate ligand and numerous complexes with 4,4'-dmbipy have been prepared, such as that of mercury (Kalateh et al., 2008; Yousefi et al., 2008), indium (Ahmadi et al., 2008), iron (Amani et al., 2009), platinum (Hojjat Kashani et al., 2008), manganese (Sakamoto et al., 2004), silver (Bellusci et al., 2008), gallium (Sofetis et al., 2006), copper (Willett et al., 2001), zinc (Alizadeh et al., 2010), cadmium (Kalateh et al., 2010) and iridium (Yoshikawa et al., 2003). Here, we report the synthesis and structure of the title compound.

In the title compound (Fig. 1), the ZnII ion is coordinated by two N atoms from a 4,4'-dmbipy ligand, one O atom from a dimethyl sulfoxide molecule and two I- anions in a distorted trigonal-bipyramidal geometry. The Zn—I, Zn—O and Zn—N bond lengths are collected in Table 1. In the crystal structure, intramolecular C—H···O hydrogen bonds (Table 2) and intermolecular ππ stacking interactions (Fig. 2) between the pyridine rings, Cg2···Cg2i and Cg2···Cg3ii [symmetry codes: (i) 1-x, -y, 1-z; (ii) -x, -y, 1-z; Cg2 and Cg3 are the centroids of the N1, C1, C2, C3, C5, C6 ring and N2, C7, C8, C9, C11, C12 ring, respectively] may stabilize the structure, with centroid–centroid distances of 3.637 (4) and 3.818 (4) Å.

Related literature top

For metal complexes of 4,4'-dimethyl-2,2'-bipyridine, see: Ahmadi et al. (2008); Alizadeh et al. (2010); Amani et al. (2009); Bellusci et al. (2008); Hojjat Kashani et al. (2008); Kalateh et al. (2008, 2010); Sakamoto et al. (2004); Sofetis et al. (2006); Willett et al. (2001); Yoshikawa et al. (2003); Yousefi et al. (2008).

Experimental top

For the preparation of the title compound, a solution of 4,4'-dmbipy (0.15 g, 0.80 mmol) in methanol (10 ml) was added to a solution of ZnI2 (0.25 g, 0.80 mmol) in methanol (5 ml) at room temperature. Crystals suitable for X-ray diffraction experiment were obtained by methanol diffusion into a colorless solution in DMSO after one week (yield: 0.34 g, 73.1%).

Refinement top

H atoms were positioned geometrically and refined as riding atoms, with C—H = 0.93 (aromatic) and 0.96 (methyl) Å and with Uiso(H) = 1.2Ueq(C). The highest residual electron density was found 0.81 Å from I2 and the deepest hole 0.86 Å from I1.

Structure description top

4,4'-Dimethyl-2,2'-bipyridine (4,4'-dmbipy) is a good bidentate ligand and numerous complexes with 4,4'-dmbipy have been prepared, such as that of mercury (Kalateh et al., 2008; Yousefi et al., 2008), indium (Ahmadi et al., 2008), iron (Amani et al., 2009), platinum (Hojjat Kashani et al., 2008), manganese (Sakamoto et al., 2004), silver (Bellusci et al., 2008), gallium (Sofetis et al., 2006), copper (Willett et al., 2001), zinc (Alizadeh et al., 2010), cadmium (Kalateh et al., 2010) and iridium (Yoshikawa et al., 2003). Here, we report the synthesis and structure of the title compound.

In the title compound (Fig. 1), the ZnII ion is coordinated by two N atoms from a 4,4'-dmbipy ligand, one O atom from a dimethyl sulfoxide molecule and two I- anions in a distorted trigonal-bipyramidal geometry. The Zn—I, Zn—O and Zn—N bond lengths are collected in Table 1. In the crystal structure, intramolecular C—H···O hydrogen bonds (Table 2) and intermolecular ππ stacking interactions (Fig. 2) between the pyridine rings, Cg2···Cg2i and Cg2···Cg3ii [symmetry codes: (i) 1-x, -y, 1-z; (ii) -x, -y, 1-z; Cg2 and Cg3 are the centroids of the N1, C1, C2, C3, C5, C6 ring and N2, C7, C8, C9, C11, C12 ring, respectively] may stabilize the structure, with centroid–centroid distances of 3.637 (4) and 3.818 (4) Å.

For metal complexes of 4,4'-dimethyl-2,2'-bipyridine, see: Ahmadi et al. (2008); Alizadeh et al. (2010); Amani et al. (2009); Bellusci et al. (2008); Hojjat Kashani et al. (2008); Kalateh et al. (2008, 2010); Sakamoto et al. (2004); Sofetis et al. (2006); Willett et al. (2001); Yoshikawa et al. (2003); Yousefi et al. (2008).

Computing details top

Data collection: SMART (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT (Bruker, 2007); program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).

Figures top
[Figure 1] Fig. 1. The molecular structure of the title compound. Displacement ellipsoids are drawn at the 30% probability level.
[Figure 2] Fig. 2. Crystal packing diagram for the title compound.
(4,4'-Dimethyl-2,2'-bipyridine-κ2N,N')(dimethyl sulfoxide-κO) diiodidozinc(II) top
Crystal data top
[ZnI2(C12H12N2)(C2H6OS)]F(000) = 1104
Mr = 581.56Dx = 1.986 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 21034 reflections
a = 8.6173 (7) Åθ = 2.4–29.2°
b = 15.5424 (11) ŵ = 4.54 mm1
c = 14.8976 (10) ÅT = 298 K
β = 102.908 (6)°Block, colorless
V = 1944.9 (3) Å30.40 × 0.20 × 0.10 mm
Z = 4
Data collection top
Bruker APEX CCD
diffractometer
5243 independent reflections
Radiation source: fine-focus sealed tube4246 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.113
φ and ω scansθmax = 29.2°, θmin = 2.4°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 1111
Tmin = 0.350, Tmax = 0.636k = 2121
21034 measured reflectionsl = 2019
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.076Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.202H-atom parameters constrained
S = 1.20 w = 1/[σ2(Fo2) + (0.1105P)2 + 1.119P]
where P = (Fo2 + 2Fc2)/3
5243 reflections(Δ/σ)max = 0.006
191 parametersΔρmax = 2.11 e Å3
0 restraintsΔρmin = 2.87 e Å3
Crystal data top
[ZnI2(C12H12N2)(C2H6OS)]V = 1944.9 (3) Å3
Mr = 581.56Z = 4
Monoclinic, P21/cMo Kα radiation
a = 8.6173 (7) ŵ = 4.54 mm1
b = 15.5424 (11) ÅT = 298 K
c = 14.8976 (10) Å0.40 × 0.20 × 0.10 mm
β = 102.908 (6)°
Data collection top
Bruker APEX CCD
diffractometer
5243 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
4246 reflections with I > 2σ(I)
Tmin = 0.350, Tmax = 0.636Rint = 0.113
21034 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0760 restraints
wR(F2) = 0.202H-atom parameters constrained
S = 1.20Δρmax = 2.11 e Å3
5243 reflectionsΔρmin = 2.87 e Å3
191 parameters
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
C10.3959 (9)0.0849 (4)0.5994 (5)0.0499 (15)
H10.44910.11100.65370.060*
C20.4035 (10)0.1229 (5)0.5175 (5)0.0558 (18)
H20.46130.17340.51710.067*
C30.3249 (8)0.0859 (4)0.4355 (5)0.0434 (13)
C40.3297 (12)0.1243 (6)0.3445 (5)0.060 (2)
H4C0.29990.08160.29720.072*
H4B0.43560.14420.34560.072*
H4A0.25680.17180.33200.072*
C50.2391 (8)0.0114 (4)0.4415 (4)0.0404 (12)
H50.18190.01460.38800.049*
C60.2382 (7)0.0246 (4)0.5263 (4)0.0348 (11)
C70.1490 (7)0.1048 (4)0.5361 (4)0.0371 (11)
C80.0708 (8)0.1531 (5)0.4614 (4)0.0444 (13)
H80.07590.13630.40220.053*
C90.0137 (9)0.2252 (5)0.4731 (5)0.0520 (16)
C100.0965 (13)0.2786 (6)0.3928 (7)0.072 (2)
H10C0.14680.32690.41460.087*
H10B0.02020.29870.35950.087*
H10A0.17550.24430.35280.087*
C110.0155 (10)0.2477 (5)0.5633 (6)0.0578 (18)
H110.07230.29570.57490.069*
C120.0667 (11)0.1988 (5)0.6351 (5)0.0563 (18)
H120.06600.21570.69490.068*
C130.573 (3)0.1599 (8)0.8800 (9)0.148 (9)
H13A0.48260.18820.84280.178*
H13B0.66320.16650.85230.178*
H13C0.59750.18490.94040.178*
C140.7238 (12)0.0134 (10)0.9372 (7)0.093 (4)
H14A0.79770.03730.90440.112*
H14B0.72580.04820.93340.112*
H14C0.75310.03071.00060.112*
N10.3148 (6)0.0114 (3)0.6051 (3)0.0390 (10)
N20.1480 (7)0.1279 (4)0.6227 (3)0.0408 (11)
O10.4955 (6)0.0209 (4)0.7891 (3)0.0512 (11)
Zn10.28482 (9)0.04667 (5)0.72994 (5)0.0401 (2)
I10.07682 (6)0.04536 (4)0.79226 (3)0.05824 (19)
I20.37974 (8)0.18094 (4)0.84331 (4)0.0642 (2)
S10.5317 (2)0.05061 (13)0.88831 (11)0.0482 (4)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C10.057 (4)0.047 (3)0.043 (3)0.012 (3)0.005 (3)0.002 (3)
C20.070 (5)0.052 (4)0.046 (4)0.016 (3)0.013 (3)0.003 (3)
C30.045 (3)0.046 (3)0.039 (3)0.005 (3)0.010 (2)0.005 (2)
C40.079 (5)0.064 (4)0.042 (4)0.011 (4)0.021 (4)0.012 (3)
C50.046 (3)0.049 (3)0.027 (2)0.001 (3)0.009 (2)0.000 (2)
C60.035 (3)0.040 (3)0.030 (2)0.001 (2)0.009 (2)0.002 (2)
C70.038 (3)0.044 (3)0.030 (3)0.001 (2)0.009 (2)0.004 (2)
C80.046 (3)0.052 (3)0.036 (3)0.009 (3)0.012 (2)0.001 (3)
C90.050 (4)0.057 (4)0.049 (4)0.012 (3)0.009 (3)0.001 (3)
C100.075 (6)0.073 (5)0.068 (5)0.025 (5)0.014 (4)0.009 (4)
C110.058 (4)0.052 (4)0.064 (5)0.010 (3)0.016 (3)0.012 (3)
C120.065 (5)0.057 (4)0.048 (4)0.007 (3)0.014 (3)0.018 (3)
C130.29 (3)0.070 (7)0.058 (6)0.031 (11)0.023 (10)0.004 (5)
C140.048 (4)0.171 (12)0.055 (5)0.020 (6)0.000 (4)0.011 (7)
N10.038 (2)0.046 (3)0.032 (2)0.004 (2)0.0059 (19)0.000 (2)
N20.041 (3)0.051 (3)0.031 (2)0.002 (2)0.0088 (19)0.006 (2)
O10.045 (2)0.078 (3)0.030 (2)0.008 (2)0.0059 (18)0.003 (2)
Zn10.0420 (4)0.0511 (4)0.0273 (3)0.0043 (3)0.0079 (3)0.0021 (3)
I10.0498 (3)0.0841 (4)0.0397 (3)0.0204 (2)0.00761 (19)0.0118 (2)
I20.0731 (4)0.0624 (3)0.0512 (3)0.0118 (2)0.0009 (2)0.0195 (2)
S10.0445 (8)0.0693 (11)0.0297 (7)0.0026 (7)0.0062 (6)0.0014 (6)
Geometric parameters (Å, º) top
C1—N11.352 (9)C10—H10B0.9600
C1—C21.370 (10)C10—H10A0.9600
C1—H10.9300C11—C121.372 (12)
C2—C31.383 (10)C11—H110.9300
C2—H20.9300C12—N21.341 (9)
C3—C51.388 (9)C12—H120.9300
C3—C41.490 (9)C13—S11.746 (12)
C4—H4C0.9600C13—H13A0.9600
C4—H4B0.9600C13—H13B0.9600
C4—H4A0.9600C13—H13C0.9600
C5—C61.384 (8)C14—S11.751 (10)
C5—H50.9300C14—H14A0.9600
C6—N11.334 (7)C14—H14B0.9600
C6—C71.488 (8)C14—H14C0.9600
C7—N21.341 (7)Zn1—N12.135 (5)
C7—C81.387 (9)Zn1—N22.167 (6)
C8—C91.368 (10)O1—S11.513 (5)
C8—H80.9300Zn1—O12.112 (5)
C9—C111.392 (11)Zn1—I12.6199 (9)
C9—C101.498 (12)Zn1—I22.6944 (9)
C10—H10C0.9600
N1—C1—C2123.3 (7)C12—C11—H11120.0
N1—C1—H1118.3C9—C11—H11120.0
C2—C1—H1118.3N2—C12—C11122.8 (7)
C1—C2—C3119.7 (7)N2—C12—H12118.6
C1—C2—H2120.2C11—C12—H12118.6
C3—C2—H2120.2S1—C13—H13A109.5
C2—C3—C5117.0 (6)S1—C13—H13B109.5
C2—C3—C4122.0 (6)H13A—C13—H13B109.5
C5—C3—C4121.1 (6)S1—C13—H13C109.5
C3—C4—H4C109.5H13A—C13—H13C109.5
C3—C4—H4B109.5H13B—C13—H13C109.5
H4C—C4—H4B109.5S1—C14—H14A109.5
C3—C4—H4A109.5S1—C14—H14B109.5
H4C—C4—H4A109.5H14A—C14—H14B109.5
H4B—C4—H4A109.5S1—C14—H14C109.5
C6—C5—C3120.5 (6)H14A—C14—H14C109.5
C6—C5—H5119.7H14B—C14—H14C109.5
C3—C5—H5119.7C6—N1—C1117.4 (5)
N1—C6—C5122.1 (6)C6—N1—Zn1117.2 (4)
N1—C6—C7115.5 (5)C1—N1—Zn1125.2 (4)
C5—C6—C7122.4 (5)C12—N2—C7117.9 (6)
N2—C7—C8121.4 (6)C12—N2—Zn1126.3 (5)
N2—C7—C6115.7 (5)C7—N2—Zn1115.7 (4)
C8—C7—C6123.0 (5)S1—O1—Zn1122.0 (3)
C9—C8—C7121.3 (6)O1—Zn1—N183.89 (19)
C9—C8—H8119.4O1—Zn1—N2150.80 (19)
C7—C8—H8119.4N1—Zn1—N275.84 (19)
C8—C9—C11116.7 (7)O1—Zn1—I199.96 (15)
C8—C9—C10121.6 (7)N1—Zn1—I1107.68 (15)
C11—C9—C10121.8 (7)N2—Zn1—I1106.06 (15)
C9—C10—H10C109.5O1—Zn1—I290.64 (15)
C9—C10—H10B109.5N1—Zn1—I2142.63 (15)
H10C—C10—H10B109.5N2—Zn1—I292.86 (14)
C9—C10—H10A109.5I1—Zn1—I2109.67 (3)
H10C—C10—H10A109.5O1—S1—C13103.2 (5)
H10B—C10—H10A109.5O1—S1—C14106.0 (4)
C12—C11—C9119.9 (7)C13—S1—C1499.2 (9)
N1—C1—C2—C30.3 (13)C8—C7—N2—C121.0 (10)
C1—C2—C3—C50.9 (12)C6—C7—N2—C12178.8 (6)
C1—C2—C3—C4179.7 (8)C8—C7—N2—Zn1177.7 (5)
C2—C3—C5—C61.9 (10)C6—C7—N2—Zn12.6 (7)
C4—C3—C5—C6178.7 (7)S1—O1—Zn1—N1151.4 (4)
C3—C5—C6—N11.8 (10)S1—O1—Zn1—N2162.7 (3)
C3—C5—C6—C7179.5 (6)S1—O1—Zn1—I144.4 (4)
N1—C6—C7—N24.2 (8)S1—O1—Zn1—I265.7 (4)
C5—C6—C7—N2174.5 (6)C6—N1—Zn1—O1160.7 (5)
N1—C6—C7—C8176.1 (6)C1—N1—Zn1—O124.2 (6)
C5—C6—C7—C85.2 (10)C6—N1—Zn1—N21.9 (4)
N2—C7—C8—C91.6 (11)C1—N1—Zn1—N2177.0 (6)
C6—C7—C8—C9178.1 (7)C6—N1—Zn1—I1100.8 (4)
C7—C8—C9—C110.6 (12)C1—N1—Zn1—I174.3 (6)
C7—C8—C9—C10179.1 (8)C6—N1—Zn1—I277.7 (5)
C8—C9—C11—C120.8 (13)C1—N1—Zn1—I2107.2 (6)
C10—C9—C11—C12177.6 (9)C12—N2—Zn1—O1131.6 (6)
C9—C11—C12—N21.5 (14)C7—N2—Zn1—O146.9 (7)
C5—C6—N1—C10.5 (9)C12—N2—Zn1—N1179.0 (7)
C7—C6—N1—C1179.3 (6)C7—N2—Zn1—N10.5 (4)
C5—C6—N1—Zn1174.9 (5)C12—N2—Zn1—I176.3 (6)
C7—C6—N1—Zn13.8 (7)C7—N2—Zn1—I1105.2 (4)
C2—C1—N1—C60.5 (11)C12—N2—Zn1—I235.1 (6)
C2—C1—N1—Zn1175.6 (6)C7—N2—Zn1—I2143.4 (4)
C11—C12—N2—C70.5 (12)Zn1—O1—S1—C13127.7 (9)
C11—C12—N2—Zn1179.0 (6)Zn1—O1—S1—C14128.5 (6)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C1—H1···O10.932.412.938 (9)116

Experimental details

Crystal data
Chemical formula[ZnI2(C12H12N2)(C2H6OS)]
Mr581.56
Crystal system, space groupMonoclinic, P21/c
Temperature (K)298
a, b, c (Å)8.6173 (7), 15.5424 (11), 14.8976 (10)
β (°) 102.908 (6)
V3)1944.9 (3)
Z4
Radiation typeMo Kα
µ (mm1)4.54
Crystal size (mm)0.40 × 0.20 × 0.10
Data collection
DiffractometerBruker APEX CCD
Absorption correctionMulti-scan
(SADABS; Sheldrick, 1996)
Tmin, Tmax0.350, 0.636
No. of measured, independent and
observed [I > 2σ(I)] reflections
21034, 5243, 4246
Rint0.113
(sin θ/λ)max1)0.685
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.076, 0.202, 1.20
No. of reflections5243
No. of parameters191
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)2.11, 2.87

Computer programs: SMART (Bruker, 2007), SAINT (Bruker, 2007), SHELXTL (Sheldrick, 2008), ORTEP-3 (Farrugia, 1997), WinGX (Farrugia, 1999).

Selected bond lengths (Å) top
Zn1—N12.135 (5)Zn1—I12.6199 (9)
Zn1—N22.167 (6)Zn1—I22.6944 (9)
Zn1—O12.112 (5)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C1—H1···O10.932.412.938 (9)116
 

Acknowledgements

The author is grateful to the Islamic Azad University, Shahr-e-Rey Branch, for financial support.

References

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