Aqua­chlorido{1-[1-(4-hydroxy­phen­yl)-1H-tetra­zol-5-ylsulfan­yl]acetato}(methanol)(1,10-phenanthroline)manganese(II)

Jian-Ling Yin; Yun-Long Feng

doi:10.1107/S1600536808038245

. 2008 Nov 22;64(Pt 12):m1609. doi: 10.1107/S1600536808038245

Aquachlorido{1-[1-(4-hydroxyphenyl)-1H-tetrazol-5-ylsulfanyl]acetato}(methanol)(1,10-phenanthroline)manganese(II)

Jian-Ling Yin ^a, Yun-Long Feng ^a,^*

PMCID: PMC2959832 PMID: 21581204

Abstract

The title complex, [Mn(C₉H₇N₄O₃S)Cl(C₁₂H₈N₂)(CH₄O)(H₂O)], contains an Mn^II ion six-coordinated by one O atom from the 2-[1-(4-hydroxyphenyl)-1H-tetrazol-5-ylsulfanyl]acetate ligand, two N atoms from a chelating 1,10-phenanthroline ligand, one O atom from a methanol molecule, one Cl atom and one water molecule in a distorted octahedral coordination geometry. The existence of O—H⋯Cl, O—H⋯N and O—H⋯O hydrogen bonds further produces a two-dimensional structure.

Related literature

For general background, see: Hu et al. (2006 ▶); Zhang et al. (2006 ▶).

Experimental

Crystal data

[Mn(C₉H₇N₄O₃S)Cl(C₁₂H₈N₂)(CH₄O)(H₂O)]
M _r = 571.90
Triclinic,
a = 10.5565 (3) Å
b = 11.4969 (2) Å
c = 11.5931 (2) Å
α = 114.362 (1)°
β = 96.841 (1)°
γ = 103.969 (1)°
V = 1205.17 (5) Å³
Z = 2
Mo Kα radiation
μ = 0.79 mm⁻¹
T = 296 (2) K
0.34 × 0.23 × 0.11 mm

Data collection

Bruker APEXII diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T _min = 0.806, T _max = 0.916
13742 measured reflections
4186 independent reflections
3802 reflections with I > 2σ(I)
R _int = 0.019

Refinement

R[F ² > 2σ(F ²)] = 0.027
wR(F ²) = 0.081
S = 1.07
4186 reflections
337 parameters
8 restraints
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.33 e Å⁻³
Δρ_min = −0.27 e Å⁻³

Data collection: APEX2 (Bruker, 2004 ▶); cell refinement: SAINT (Bruker, 2004 ▶); 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: SHELXL97.

Supplementary Material

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536808038245/at2671sup1.cif

e-64-m1609-sup1.cif^{(25.4KB, cif)}

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808038245/at2671Isup2.hkl

e-64-m1609-Isup2.hkl^{(205.1KB, 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
O3—H3B⋯Cl1ⁱ	0.805 (16)	2.334 (17)	3.1344 (16)	173 (2)
O4—H4B⋯O1ⁱⁱ	0.797 (16)	1.889 (17)	2.6788 (18)	171 (2)
O1W—H1WA⋯N4ⁱⁱⁱ	0.804 (15)	2.006 (15)	2.808 (2)	175 (2)
O1W—H1WB⋯Cl1ⁱⁱⁱ	0.815 (15)	2.376 (17)	3.1665 (15)	164 (2)

Open in a new tab

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

supplementary crystallographic information

Comment

Recently much interest has been focused on the design and synthesis of complexes based on rigid aromatic carboxylic acids (Hu et al., 2006; Zhang et al., 2006). However, the coordination chemistry and structural properties of complexes based on flexible heterocyclic acetate ligand have been rarely documented to date. 1-(4-hydroxyphenyl)-5-thioacetatetetrazole possesses one phenolic hydroxy group and one flexible thioacetate group, which has senven potential coordinated sites. As illustrated in Fig. 1, Mn^II ion is in a distorted octahedral coordination environment, coordinated by one O atom of 1-(4-hydroxyphenyl)-5-thioacetatetetrazole ligand, two N atoms from phen, one O atom from methanol molecule, one Cl atom and one water molecule.

The existence of O—H···Cl, O—H···N, and O—H···O three types of hydrogen bonds further produce two-dimensional structure.

Experimental

Manganese chloride tetrahydrate 0.5 mmol (0.099 g), 1-(4-hydroxyphenyl)-5-thioacetatetetrazole 0.5 mmol (0.061 g), 1,10-phenanthroline 0.25 mmol (0.050 g), were mixed in 16 ml of 15:1 distilled water/methanol, and stirred for 2 h under 333 K. Then the reaction mixture was filtered and well shaped colourless crystals of the title compound, Mn(H₂O)Cl(MeOH)(phen)(C₉H₇N₄O₃S), was obtained from the mother liquor by slow evaporation at room temperature for several days.