Bis(μ-2-phenyl­quinoline-4-carboxyl­ato)bis­[aqua­(1,10-phenanthroline)(2-phenyl­quinoline-4-carboxyl­ato)manganese(II)] dihydrate

Wei-Wei Li; Yue Bing; Mei-Qin Zha; Tian-Hua Li; Xing Li

doi:10.1107/S1600536811039341

. 2011 Sep 30;67(Pt 10):m1464–m1465. doi: 10.1107/S1600536811039341

Bis(μ-2-phenylquinoline-4-carboxylato)bis[aqua(1,10-phenanthroline)(2-phenylquinoline-4-carboxylato)manganese(II)] dihydrate

Wei-Wei Li ^a, Yue Bing ^a, Mei-Qin Zha ^a, Tian-Hua Li ^a, Xing Li ^a,^*

PMCID: PMC3201393 PMID: 22065024

Abstract

In the centrosymmetric dinuclear title complex, [Mn₂(C₁₆H₁₀NO₂)₄(C₁₂H₈N₂)₂(H₂O)₂]·2H₂O, the Mn^II cation is in a distorted octahedral coordination geometry defined by two N atoms from a 1,10-phenanthroline ligand, one water O atom and three O atoms from three 2-phenylquinoline-4-carboxylate anions. A pair of 2-phenylquinoline-4-carboxylate anions bridge two Mn cations, forming the dinuclear molecule. An intramoleculr O—H⋯O hydrogen bond occurs. Intermolecular O—H⋯O and O—H⋯N hydrogen bonds are present in the crystal structure.

Related literature

For applications of coordination polymers, see: Wang et al. (2009 ▶); Xi et al. (2009 ▶); Xu et al. (2008 ▶); Ferey (2008 ▶). For a related structure, see: Shen et al. (2007 ▶).

Experimental

Crystal data

[Mn₂(C₁₆H₁₀NO₂)₄(C₁₂H₈N₂)₂(H₂O)₂]·2H₂O
M _r = 1535.35
Monoclinic,
a = 14.926 (4) Å
b = 13.847 (4) Å
c = 17.717 (5) Å
β = 96.919 (4)°
V = 3635.1 (18) Å³
Z = 2
Mo Kα radiation
μ = 0.42 mm⁻¹
T = 296 K
0.35 × 0.15 × 0.12 mm

Data collection

Bruker SMART CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2001 ▶) T _min = 0.927, T _max = 0.951
31242 measured reflections
8315 independent reflections
5656 reflections with I > 2σ(I)
R _int = 0.044

Refinement

R[F ² > 2σ(F ²)] = 0.039
wR(F ²) = 0.113
S = 1.03
8315 reflections
512 parameters
4 restraints
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.41 e Å⁻³
Δρ_min = −0.28 e Å⁻³

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

Supplementary Material

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536811039341/xu5330sup1.cif

e-67-m1464-sup1.cif^{(27.3KB, cif)}

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811039341/xu5330Isup2.hkl

e-67-m1464-Isup2.hkl^{(406.8KB, hkl)}

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

Table 1. Selected bond lengths (Å).

Mn1—O1	2.1740 (14)
Mn1—O3	2.1557 (15)
Mn1—O4ⁱ	2.1148 (14)
Mn1—O5	2.2358 (16)
Mn1—N3	2.2706 (16)
Mn1—N4	2.2914 (15)

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Symmetry code: (i) Inline graphic .

Table 2. Hydrogen-bond geometry (Å, °).

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O5—H5A⋯O2	0.85 (2)	1.81 (2)	2.630 (2)	161 (3)
O5—H5B⋯N2ⁱⁱ	0.83 (2)	2.04 (2)	2.868 (2)	176
O6—H6A⋯O1ⁱⁱⁱ	0.89 (5)	2.30 (5)	3.175 (3)	167
O6—H6B⋯N1^iv	0.87 (2)	2.23 (2)	3.051 (3)	157

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

Acknowledgments

The work was supported by the Ningbo University Foundation (XK1066, XYL08004), the training funds of excellent theses for Masters in Ningbo University (PY20090012, PY20100007), the Youth Talent programs of Zhejiang Province (2010R405017) and the K. C. Wong Magna Fund in Ningbo University, China.

supplementary crystallographic information

Comment

Crystal engineering of coordination polymers have attracted a considerable ongoing research in the past few decades because of their variety of topological architectures and the diverse fascinating functionalities for potential applications (Ferey, 2008; Wang et al., 2009). 2-phenylquinoline-4-carboxylic acid, aside from the significance in biological systems (Xi et al., 2009; Xu et al., 2008), also possesses fascinating coordination behaviors, such as asymmetric geometry and multiple coordination sites, which has been widely used to design and synthesize metal-organic coordination complexes because of the carboxylate group and/or pyridine nitrogen atom (Shen et al., 2007). Herein we report the preparation and characterization of a new 2-phenylquinoline-4-carboxylate-manganese(II) complex, [Mn₂(C₁₆H₁₀NO₂)₄(Phen)₂(H₂O)₂].2H₂O.

Single-crystal X-ray diffraction analysis indicates the title complex possesses a dinuclear structure. The asymmetric unit consists of four ligands, two phen ligands, two manganese ions, two coordinated water molecules and two guest water molecules. A view of the manganese ion coordination is shown in Figure 1, where the metal center is coordinated in an octahedral geometry by two N atoms from one phen with Mn—N distances ranging 2.2706 (16) and 2.2914 (15) Å and four O atoms from three ligands and one coordinated water molecule with Mn—O distances ranging from 2.1148 (14) to 2.2358 (16) Å. The intermolecular O—H···O and O—H···N hydrogen bondings is helpful to the stabilization of the crystal structure (Figure 2).

Experimental

2-Phenylquinoline-4-carboxylic acid (0.0123 g, 0.05 mmol), Mn(OAc)₂.2H₂O (0.0250 g, 0.10 mmol), phen (0.0198 g, 0.10 mmol) and KOH (0.0028 g, 0.05 mmol) in H₂O solution (10 ml) were placed in a 25 ml stainless reactor fitted with a Teflon liner and heated to 373 K for two days, then cooled to room temperature, yellow block like crystals were obtained (yield, 50%).