catena-Poly[[[(2,2′-bipyridine-κ2 N,N′)(dimethyl sulfoxide-κO)(nitrato-κ2 O,O′)bis­muth(III)]-μ-5-carb­oxy­benzene-1,3-dicarboxyl­ato-κ4 O 1 ,O 1′ :O 3 ,O 3′] dimethyl sulfoxide monosolvate]

Hoda Pasdar; Marjan Namegh; Hossein Aghabozorg; Behrouz Notash

doi:10.1107/S1600536811005745

. 2011 Feb 19;67(Pt 3):m353–m354. doi: 10.1107/S1600536811005745

catena-Poly[[[(2,2′-bipyridine-κ² N,N′)(dimethyl sulfoxide-κO)(nitrato-κ² O,O′)bismuth(III)]-μ-5-carboxybenzene-1,3-dicarboxylato-κ⁴ O ¹ ,O ^1′ :O ³ ,O ^3′] dimethyl sulfoxide monosolvate]

Hoda Pasdar ^a, Marjan Namegh ^a,^*, Hossein Aghabozorg ^a, Behrouz Notash ^b

PMCID: PMC3052002 PMID: 21522282

Abstract

The polymeric title compound, {[Bi(C₉H₄O₆)(NO₃)(C₁₀H₈N₂)(C₂H₆OS)]·C₂H₆OS}_n, was obtained by the reaction of bismuth(III) nitrate, bipyridine (bpy) and 1,3,5-benzenetricarboxylic acid (H₃BTC). The Bi^III ion is coordinated in a distorted tricapped trigonal-prismatic geometry, defined by two N atoms of the bipy ligand, four O atoms of two HBTC²⁻ anions, two O atoms of a nitrate anion and one O atom of a dimethyl sulfoxide ligand. The crystal packing is stabilized by O—H⋯O and C—H⋯O hydrogen bonds. The S atom of the non-coordinating dimethyl sulfoxide molecule is disordered over two sets of sites with refined site-occupancies of 0.430 (19) and 0.570 (19).

Related literature

For coordination polymers derived from H₃BTC, see: Skakle et al. (2001 ▶); Cheng et al. (2009 ▶). For related structures, see: Barbour et al. (1998 ▶); Bowmaker et al. (1998 ▶).

Experimental

Crystal data

[Bi(C₉H₄O₆)(NO₃)(C₁₀H₈N₂)(C₂H₆OS)]·C₂H₆OS
M _r = 791.57
Triclinic,
a = 8.9562 (18) Å
b = 9.882 (2) Å
c = 16.111 (3) Å
α = 89.78 (3)°
β = 76.22 (3)°
γ = 84.80 (3)°
V = 1378.9 (5) Å³
Z = 2
Mo Kα radiation
μ = 6.61 mm⁻¹
T = 298 K
0.15 × 0.10 × 0.1 mm

Data collection

STOE IPDS II diffractometer
Absorption correction: numerical [shape of crystal determined optically (X-SHAPE and X-RED32; Stoe & Cie (2005 ▶)] T _min = 0.455, T _max = 0.515
15461 measured reflections
7396 independent reflections
6043 reflections with I > 2σ(I)
R _int = 0.124

Refinement

R[F ² > 2σ(F ²)] = 0.072
wR(F ²) = 0.195
S = 1.13
7396 reflections
373 parameters
H-atom parameters constrained
Δρ_max = 2.25 e Å⁻³
Δρ_min = −2.57 e Å⁻³

Data collection: X-AREA (Stoe & Cie, 2005 ▶); cell refinement: X-AREA; data reduction: X-AREA; 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, 1997 ▶); software used to prepare material for publication: WinGX (Farrugia, 1999 ▶).

Supplementary Material

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536811005745/bt5453sup1.cif

e-67-0m353-sup1.cif^{(30.1KB, cif)}

Structure factors: contains datablocks I. DOI: 10.1107/S1600536811005745/bt5453Isup2.hkl

e-67-0m353-Isup2.hkl^{(361.8KB, hkl)}

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

Table 1. Hydrogen-bond geometry (Å, °).

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1—H1⋯O11ⁱ	0.82	1.79	2.60 (2)	167
C10—H10⋯O8	0.93	2.53	3.16 (2)	125
C12—H12⋯O10ⁱⁱ	0.93	2.58	3.51 (2)	179
C13—H13⋯O6ⁱⁱⁱ	0.93	2.57	3.350 (19)	142
C17—H17⋯O2ⁱⁱⁱ	0.93	2.48	3.260 (19)	142
C18—H18⋯O3^iv	0.93	2.58	3.391 (17)	146
C21—H21B⋯O9^v	0.96	2.56	3.49 (3)	161

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Symmetry codes: (i) Inline graphic ; (ii) ; (iii) ; (iv) ; (v) .

Acknowledgments

The authors grateful acknowledge the Islamic Azad University, North Tehran Branch, for financial support.

supplementary crystallographic information

Comment

Coordination polymers are currently of great interest due to structural versatility, unique properties and their applications in different area of science. 1,3,5-benzenetricarboxylic acid (H₃BTC) has three carboxylate groups and it can form coordination polymers with wide range of dimensionality from one-dimensional to three-dimensional.

The asymmetric unit of the title compound is presented in Fig. 1. In the the title compound, Bi^III ion is 9-coordinated in a N₂O₇ environment and its geometry is distorted tricapped trigonal prismatic. In the title compound, there is one H₃BTC in which two carboxylic groups are deprotonate. There are also one bipyridine, one nitrate and one dimethylsulfoxide molecule. Also there is one uncoordinated DMSO molecule in the packing of the compound. Bond lengths are within normal ranges. The crystal structure of title compound shows that the compound is extended by HBTC^2- moieties and it is a one-dimensional coordination polymer. The polymeric structure of title compound is presented in Fig. 2. There are several O—H···O and C—H···O hydrogen bonds in the structure of the title compound which stabilize crystal packing (Table 1).

Experimental

A solution of Bi(NO₃)₃.5H₂O (0.5 mmol, 0.2425 g) in DMSO (5 ml) was added to a mixture of bipyridine (1 mmol, 0.1569 g) and 1,3,5-benzenetricarboxylic acid (1 mmol,0.2101 g) in absolute ethanol (10 ml) and stirred for 2 hrs at room temperature. After 5 months, colorless crystals of the title compound appeared (m.p: 270°C decompose).