Hexaaqua­manganese(II) bis­[4-(pyridin-2-ylmeth­oxy)benzoate] dihydrate

Zhang, L.-W.; Gao, S.; Ng, S.W.

doi:10.1107/S1600536811040943

metal-organic compounds

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ISSN: 2056-9890

Volume 67| Part 11| November 2011| Page m1520

doi:10.1107/S1600536811040943

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Hexaaquamanganese(II) bis[4-(pyridin-2-ylmethoxy)benzoate] dihydrate

Li-Wei Zhang,^a Shan Gao ^a and Seik Weng Ng ^b,^c ^*

^aKey Laboratory of Functional Inorganic Material Chemistry, Ministry of Education, Heilongjiang University, Harbin 150080, People's Republic of China, ^bDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia, and ^cChemistry Department, Faculty of Science, King Abdulaziz University, PO Box 80203 Jeddah, Saudi Arabia
^*Correspondence e-mail: seikweng@um.edu.my

(Received 3 October 2011; accepted 5 October 2011; online 12 October 2011)

The Mn^II atom in the title salt, [Mn(H₂O)₆](C₁₃H₁₀NO₃)₂·2H₂O, lies on a center of inversion in an octahedron of water molecules. The cations, anions and uncoordinated water molecules are linked by O—H⋯O and O—H⋯N hydrogen bonds into a three-dimensional network. The anion is essentially planar, with an r.m.s. deviation of all non-H atoms of 0.068 Å.

Related literature

For the isotypic Co(II) salt, see: Zhang et al. (2011 ).

Experimental

Crystal data

[Mn(H₂O)₆](C₁₃H₁₀NO₃)₂·2H₂O
M_r = 655.51
Triclinic, $[P \overline 1]$
a = 7.4895 (18) Å
b = 7.6409 (18) Å
c = 13.791 (3) Å
α = 84.498 (4)°
β = 82.851 (5)°
γ = 72.576 (5)°
V = 745.7 (3) Å³
Z = 1
Mo Kα radiation
μ = 0.51 mm⁻¹
T = 293 K
0.19 × 0.12 × 0.11 mm

Data collection

Rigaku R-AXIS RAPID IP diffractometer
Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ) T_min = 0.909, T_max = 0.946
7320 measured reflections
3387 independent reflections
1971 reflections with I > 2σ(I)
R_int = 0.053

Refinement

R[F² > 2σ(F²)] = 0.060
wR(F²) = 0.191
S = 1.07
3387 reflections
196 parameters
18 restraints
H-atom parameters constrained
Δρ_max = 0.62 e Å⁻³
Δρ_min = −0.70 e Å⁻³

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1w—H11⋯O1	0.84	1.94	2.760 (3)	164
O1w—H12⋯O4wⁱ	0.84	1.83	2.668 (4)	175
O2w—H21⋯O2	0.85	1.83	2.680 (3)	175
O2w—H22⋯O2ⁱⁱ	0.85	1.92	2.744 (3)	164
O3w—H31⋯O1ⁱⁱⁱ	0.84	1.97	2.805 (3)	172
O3w—H32⋯N1^iv	0.85	1.96	2.789 (4)	168
O4w—H41⋯O2	0.84	2.12	2.888 (4)	151
O4w—H42⋯O3w^v	0.84	2.40	3.165 (4)	151
Symmetry codes: (i) -x, -y+2, -z+1; (ii) -x+1, -y+2, -z+1; (iii) -x+1, -y+1, -z+1; (iv) x, y-1, z+1; (v) x, y+1, z.

Data collection: RAPID-AUTO (Rigaku, 1998 ); cell refinement: RAPID-AUTO; data reduction: CrystalClear (Rigaku/MSC, 2002 ); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001 ); software used to prepare material for publication: publCIF (Westrip, 2010 ).

Supporting information

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536811040943/bt5665sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536811040943/bt5665Isup2.hkl

checkCIF report

Comment top

First-row transition metal dications form a plethora of metal dicarboxylates; however, occasionally, no direct metal–carboxylate bond is formed, and the product consists of hexaaquametal cations and carboxylate ions, the anion interacting indirectly in an outer-sphere type of coordination. 4-(Pyridin-2-ylmethoxy)benzoic acid is a commercially available carboxylic acid but there are no reports on its metal carboxylates. The reaction of the deprotonated acid with manganese(II) ions gives the hexaaquamanganese(II) salt (Scheme I, Fig. 1). The Mn^II atom in the salt lies on a center-of-inversion in an octahedron of water molecules. The metal atom interacts with the carboxylate ion indirectly, through the coordinated water molecules, in an outer-sphere type of coordination. The cations, anions and lattice water molecules are linked by O···H···O and O–H···N hydrogen bonds into a three-dimensional network (Table 1).

Related literature top

For the isotypic Co(II) salt, see: Zhang et al. (2011).

Experimental top

Manganese dichloride (1 mmol) was added to an aqueous solution of 4-(pyridin-2-ylmethoxy)benzoic acid (2 mmol) that was earlier been treated with 1M sodium hydroxide to a pH of 6. The filtered solution was set aside for several days, after which colorless prismatic crystals separated from solution.

Computing details top

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO (Rigaku, 1998); data reduction: CrystalClear (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2010).

Figures top

Fig. 1. Anisotropic displacement ellipsoid plot (Barbour, 2001) of Mn(H₂O)₆^.2(C₁₃H₁₀NO₃)^.2H₂O at the 50% probability level; hydrogen atoms are drawn as spheres of arbitrary radius.

Hexaaquamanganese(II) bis[4-(pyridin-2-ylmethoxy)benzoate] dihydrate top

Crystal data top

[Mn(H₂O)₆](C₁₃H₁₀NO₃)₂·2H₂O	Z = 1
M_r = 655.51	F(000) = 343
Triclinic, P1	D_x = 1.460 Mg m⁻³
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 7.4895 (18) Å	Cell parameters from 3613 reflections
b = 7.6409 (18) Å	θ = 3.1–27.5°
c = 13.791 (3) Å	µ = 0.51 mm⁻¹
α = 84.498 (4)°	T = 293 K
β = 82.851 (5)°	Prism, colorless
γ = 72.576 (5)°	0.19 × 0.12 × 0.11 mm
V = 745.7 (3) Å³

Data collection top

Rigaku R-AXIS RAPID IP diffractometer	3387 independent reflections
Radiation source: fine-focus sealed tube	1971 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.053
ω scans	θ_max = 27.5°, θ_min = 3.1°
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	h = −9→8
T_min = 0.909, T_max = 0.946	k = −9→9
7320 measured reflections	l = −15→17

Refinement top

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)] = 0.060	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.191	H-atom parameters constrained
S = 1.07	w = 1/[σ²(F_o²) + (0.0912P)²] where P = (F_o² + 2F_c²)/3
3387 reflections	(Δ/σ)_max = 0.001
196 parameters	Δρ_max = 0.62 e Å⁻³
18 restraints	Δρ_min = −0.70 e Å⁻³

Crystal data top

[Mn(H₂O)₆](C₁₃H₁₀NO₃)₂·2H₂O	γ = 72.576 (5)°
M_r = 655.51	V = 745.7 (3) Å³
Triclinic, P1	Z = 1
a = 7.4895 (18) Å	Mo Kα radiation
b = 7.6409 (18) Å	µ = 0.51 mm⁻¹
c = 13.791 (3) Å	T = 293 K
α = 84.498 (4)°	0.19 × 0.12 × 0.11 mm
β = 82.851 (5)°

Data collection top

Rigaku R-AXIS RAPID IP diffractometer	3387 independent reflections
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	1971 reflections with I > 2σ(I)
T_min = 0.909, T_max = 0.946	R_int = 0.053
7320 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.060	18 restraints
wR(F²) = 0.191	H-atom parameters constrained
S = 1.07	Δρ_max = 0.62 e Å⁻³
3387 reflections	Δρ_min = −0.70 e Å⁻³
196 parameters

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Mn1	0.5000	0.5000	0.5000	0.0466 (3)
O1	0.4142 (4)	0.8219 (3)	0.26773 (17)	0.0597 (7)
O2	0.3600 (4)	1.0287 (3)	0.37937 (16)	0.0600 (7)
O3	0.2466 (4)	1.5712 (3)	0.00213 (17)	0.0659 (8)
O1w	0.2694 (3)	0.6085 (3)	0.41033 (17)	0.0540 (6)
H11	0.2936	0.6767	0.3620	0.081*
H12	0.1565	0.6540	0.4332	0.081*
O2w	0.4579 (4)	0.7811 (3)	0.52917 (16)	0.0540 (7)
H21	0.4325	0.8561	0.4797	0.081*
H22	0.5051	0.8316	0.5677	0.081*
O3w	0.3151 (4)	0.4446 (3)	0.63159 (16)	0.0571 (7)
H31	0.3960	0.3577	0.6581	0.086*
H32	0.2633	0.5227	0.6736	0.086*
O4w	0.0862 (4)	1.2683 (4)	0.5115 (2)	0.0882 (10)
H41	0.1300	1.1960	0.4663	0.132*
H42	0.1734	1.2742	0.5427	0.132*
N1	0.1726 (4)	1.7360 (4)	−0.2464 (2)	0.0554 (8)
C1	0.3759 (5)	0.9845 (4)	0.2909 (2)	0.0471 (8)
C2	0.3404 (5)	1.1379 (4)	0.2128 (2)	0.0453 (8)
C3	0.3102 (5)	1.3176 (5)	0.2353 (2)	0.0520 (9)
H3	0.3103	1.3441	0.2997	0.062*
C4	0.2800 (6)	1.4580 (5)	0.1630 (2)	0.0562 (10)
H4	0.2595	1.5785	0.1789	0.067*
C5	0.2800 (5)	1.4203 (5)	0.0674 (3)	0.0510 (9)
C6	0.3117 (5)	1.2423 (4)	0.0429 (2)	0.0512 (9)
H6	0.3129	1.2168	−0.0218	0.061*
C7	0.3420 (5)	1.1005 (5)	0.1161 (2)	0.0489 (9)
H7	0.3635	0.9800	0.1000	0.059*
C8	0.2382 (6)	1.5467 (5)	−0.0977 (2)	0.0548 (9)
H8A	0.1441	1.4856	−0.1035	0.066*
H8B	0.3590	1.4720	−0.1258	0.066*
C9	0.1870 (5)	1.7363 (5)	−0.1506 (2)	0.0483 (8)
C10	0.1244 (6)	1.8998 (6)	−0.2957 (3)	0.0645 (11)
H10	0.1140	1.9023	−0.3623	0.077*
C11	0.0898 (6)	2.0632 (5)	−0.2546 (3)	0.0640 (11)
H11A	0.0563	2.1736	−0.2922	0.077*
C12	0.1053 (7)	2.0615 (6)	−0.1567 (3)	0.0705 (12)
H12A	0.0820	2.1706	−0.1261	0.085*
C13	0.1566 (6)	1.8933 (5)	−0.1041 (3)	0.0584 (10)
H13	0.1701	1.8879	−0.0377	0.070*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Mn1	0.0650 (6)	0.0290 (4)	0.0490 (5)	−0.0172 (4)	−0.0134 (3)	0.0038 (3)
O1	0.095 (2)	0.0304 (13)	0.0560 (14)	−0.0190 (13)	−0.0203 (13)	0.0039 (10)
O2	0.101 (2)	0.0381 (13)	0.0470 (15)	−0.0260 (14)	−0.0228 (13)	0.0079 (10)
O3	0.117 (2)	0.0380 (14)	0.0449 (14)	−0.0237 (15)	−0.0232 (14)	0.0096 (10)
O1w	0.0678 (17)	0.0374 (13)	0.0593 (14)	−0.0172 (12)	−0.0174 (12)	0.0047 (10)
O2w	0.092 (2)	0.0215 (11)	0.0543 (14)	−0.0192 (12)	−0.0222 (13)	−0.0011 (9)
O3w	0.0719 (18)	0.0417 (14)	0.0531 (14)	−0.0116 (13)	−0.0064 (12)	0.0035 (11)
O4w	0.075 (2)	0.081 (2)	0.108 (2)	−0.0244 (18)	0.0048 (17)	−0.0131 (18)
N1	0.067 (2)	0.0510 (19)	0.0436 (17)	−0.0110 (16)	−0.0098 (14)	0.0072 (13)
C1	0.061 (2)	0.0328 (18)	0.051 (2)	−0.0166 (17)	−0.0157 (16)	0.0043 (14)
C2	0.058 (2)	0.0315 (16)	0.0491 (19)	−0.0164 (16)	−0.0146 (16)	0.0064 (13)
C3	0.079 (3)	0.0356 (18)	0.0445 (19)	−0.0180 (18)	−0.0180 (17)	0.0015 (14)
C4	0.088 (3)	0.0320 (18)	0.051 (2)	−0.0170 (19)	−0.0186 (19)	0.0015 (15)
C5	0.065 (2)	0.0371 (18)	0.051 (2)	−0.0164 (17)	−0.0152 (17)	0.0107 (15)
C6	0.077 (3)	0.0346 (18)	0.0427 (19)	−0.0147 (18)	−0.0149 (17)	−0.0009 (14)
C7	0.068 (2)	0.0324 (17)	0.049 (2)	−0.0159 (17)	−0.0134 (17)	0.0002 (14)
C8	0.070 (3)	0.042 (2)	0.053 (2)	−0.0189 (19)	−0.0115 (18)	0.0070 (16)
C9	0.055 (2)	0.0383 (19)	0.052 (2)	−0.0150 (17)	−0.0111 (16)	0.0062 (15)
C10	0.071 (3)	0.063 (3)	0.050 (2)	−0.008 (2)	−0.0110 (19)	0.0158 (19)
C11	0.082 (3)	0.041 (2)	0.068 (3)	−0.018 (2)	−0.020 (2)	0.0173 (18)
C12	0.096 (3)	0.044 (2)	0.078 (3)	−0.025 (2)	−0.031 (2)	0.0065 (19)
C13	0.086 (3)	0.046 (2)	0.048 (2)	−0.023 (2)	−0.0237 (19)	0.0065 (16)

Geometric parameters (Å, º) top

Mn1—O2wⁱ	2.145 (2)	C2—C3	1.383 (5)
Mn1—O2w	2.145 (2)	C2—C7	1.388 (4)
Mn1—O1w	2.163 (2)	C3—C4	1.378 (4)
Mn1—O1wⁱ	2.163 (2)	C3—H3	0.9300
Mn1—O3w	2.229 (2)	C4—C5	1.377 (5)
Mn1—O3wⁱ	2.229 (2)	C4—H4	0.9300
O1—C1	1.252 (4)	C5—C6	1.377 (5)
O2—C1	1.279 (4)	C6—C7	1.394 (4)
O3—C5	1.374 (4)	C6—H6	0.9300
O3—C8	1.418 (4)	C7—H7	0.9300
O1w—H11	0.8420	C8—C9	1.521 (4)
O1w—H12	0.8447	C8—H8A	0.9700
O2w—H21	0.8498	C8—H8B	0.9700
O2w—H22	0.8503	C9—C13	1.360 (5)
O3w—H31	0.8419	C10—C11	1.361 (6)
O3w—H32	0.8451	C10—H10	0.9300
O4w—H41	0.8414	C11—C12	1.368 (5)
O4w—H42	0.8401	C11—H11A	0.9300
N1—C10	1.337 (4)	C12—C13	1.385 (5)
N1—C9	1.339 (4)	C12—H12A	0.9300
C1—C2	1.499 (4)	C13—H13	0.9300

O2wⁱ—Mn1—O2w	180.00 (11)	C2—C3—H3	119.7
O2wⁱ—Mn1—O1w	94.67 (8)	C5—C4—C3	120.2 (3)
O2w—Mn1—O1w	85.33 (8)	C5—C4—H4	119.9
O2wⁱ—Mn1—O1wⁱ	85.33 (8)	C3—C4—H4	119.9
O2w—Mn1—O1wⁱ	94.67 (8)	O3—C5—C4	114.9 (3)
O1w—Mn1—O1wⁱ	180.0	O3—C5—C6	124.7 (3)
O2wⁱ—Mn1—O3w	85.49 (9)	C4—C5—C6	120.4 (3)
O2w—Mn1—O3w	94.51 (9)	C5—C6—C7	119.3 (3)
O1w—Mn1—O3w	93.70 (9)	C5—C6—H6	120.3
O1wⁱ—Mn1—O3w	86.30 (9)	C7—C6—H6	120.3
O2wⁱ—Mn1—O3wⁱ	94.51 (9)	C2—C7—C6	120.5 (3)
O2w—Mn1—O3wⁱ	85.49 (9)	C2—C7—H7	119.7
O1w—Mn1—O3wⁱ	86.30 (9)	C6—C7—H7	119.7
O1wⁱ—Mn1—O3wⁱ	93.70 (9)	O3—C8—C9	107.4 (3)
O3w—Mn1—O3wⁱ	180.0	O3—C8—H8A	110.2
C5—O3—C8	119.0 (3)	C9—C8—H8A	110.2
Mn1—O1w—H11	113.3	O3—C8—H8B	110.2
Mn1—O1w—H12	123.8	C9—C8—H8B	110.2
H11—O1w—H12	108.4	H8A—C8—H8B	108.5
Mn1—O2w—H21	113.9	N1—C9—C13	122.8 (3)
Mn1—O2w—H22	133.0	N1—C9—C8	114.5 (3)
H21—O2w—H22	106.7	C13—C9—C8	122.7 (3)
Mn1—O3w—H31	97.6	N1—C10—C11	124.1 (4)
Mn1—O3w—H32	123.2	N1—C10—H10	117.9
H31—O3w—H32	108.4	C11—C10—H10	117.9
H41—O4w—H42	110.0	C10—C11—C12	118.5 (3)
C10—N1—C9	116.7 (3)	C10—C11—H11A	120.7
O1—C1—O2	123.2 (3)	C12—C11—H11A	120.7
O1—C1—C2	119.5 (3)	C11—C12—C13	118.4 (4)
O2—C1—C2	117.2 (3)	C11—C12—H12A	120.8
C3—C2—C7	119.0 (3)	C13—C12—H12A	120.8
C3—C2—C1	120.8 (3)	C9—C13—C12	119.4 (4)
C7—C2—C1	120.2 (3)	C9—C13—H13	120.3
C4—C3—C2	120.6 (3)	C12—C13—H13	120.3
C4—C3—H3	119.7

O1—C1—C2—C3	−175.7 (3)	C1—C2—C7—C6	−179.1 (3)
O2—C1—C2—C3	6.2 (5)	C5—C6—C7—C2	0.0 (6)
O1—C1—C2—C7	2.7 (5)	C5—O3—C8—C9	176.3 (3)
O2—C1—C2—C7	−175.4 (3)	C10—N1—C9—C13	−0.5 (6)
C7—C2—C3—C4	0.8 (6)	C10—N1—C9—C8	178.8 (3)
C1—C2—C3—C4	179.2 (4)	O3—C8—C9—N1	−179.6 (3)
C2—C3—C4—C5	−0.2 (6)	O3—C8—C9—C13	−0.3 (5)
C8—O3—C5—C4	−178.1 (3)	C9—N1—C10—C11	−0.1 (6)
C8—O3—C5—C6	1.8 (6)	N1—C10—C11—C12	0.2 (7)
C3—C4—C5—O3	179.4 (4)	C10—C11—C12—C13	0.3 (6)
C3—C4—C5—C6	−0.5 (6)	N1—C9—C13—C12	1.1 (6)
O3—C5—C6—C7	−179.3 (4)	C8—C9—C13—C12	−178.2 (4)
C4—C5—C6—C7	0.6 (6)	C11—C12—C13—C9	−1.0 (7)
C3—C2—C7—C6	−0.7 (6)

Symmetry code: (i) −x+1, −y+1, −z+1.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1w—H11···O1	0.84	1.94	2.760 (3)	164
O1w—H12···O4wⁱⁱ	0.84	1.83	2.668 (4)	175
O2w—H21···O2	0.85	1.83	2.680 (3)	175
O2w—H22···O2ⁱⁱⁱ	0.85	1.92	2.744 (3)	164
O3w—H31···O1ⁱ	0.84	1.97	2.805 (3)	172
O3w—H32···N1^iv	0.85	1.96	2.789 (4)	168
O4w—H41···O2	0.84	2.12	2.888 (4)	151
O4w—H42···O3w^v	0.84	2.40	3.165 (4)	151

Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) −x, −y+2, −z+1; (iii) −x+1, −y+2, −z+1; (iv) x, y−1, z+1; (v) x, y+1, z.

Experimental details

Crystal data
Chemical formula	[Mn(H₂O)₆](C₁₃H₁₀NO₃)₂·2H₂O
M_r	655.51
Crystal system, space group	Triclinic, P1
Temperature (K)	293
a, b, c (Å)	7.4895 (18), 7.6409 (18), 13.791 (3)
α, β, γ (°)	84.498 (4), 82.851 (5), 72.576 (5)
V (Å³)	745.7 (3)
Z	1
Radiation type	Mo Kα
µ (mm⁻¹)	0.51
Crystal size (mm)	0.19 × 0.12 × 0.11

Data collection
Diffractometer	Rigaku R-AXIS RAPID IP diffractometer
Absorption correction	Multi-scan (ABSCOR; Higashi, 1995)
T_min, T_max	0.909, 0.946
No. of measured, independent and observed [I > 2σ(I)] reflections	7320, 3387, 1971
R_int	0.053
(sin θ/λ)_max (Å⁻¹)	0.649

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.060, 0.191, 1.07
No. of reflections	3387
No. of parameters	196
No. of restraints	18
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.62, −0.70

Computer programs: RAPID-AUTO (Rigaku, 1998), CrystalClear (Rigaku/MSC, 2002), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), X-SEED (Barbour, 2001), publCIF (Westrip, 2010).

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1w—H11···O1	0.84	1.94	2.760 (3)	163.8
O1w—H12···O4wⁱ	0.84	1.83	2.668 (4)	174.7
O2w—H21···O2	0.85	1.83	2.680 (3)	175.2
O2w—H22···O2ⁱⁱ	0.85	1.92	2.744 (3)	164.0
O3w—H31···O1ⁱⁱⁱ	0.84	1.97	2.805 (3)	172.4
O3w—H32···N1^iv	0.85	1.96	2.789 (4)	167.8
O4w—H41···O2	0.84	2.12	2.888 (4)	151.3
O4w—H42···O3w^v	0.84	2.40	3.165 (4)	150.9

Symmetry codes: (i) −x, −y+2, −z+1; (ii) −x+1, −y+2, −z+1; (iii) −x+1, −y+1, −z+1; (iv) x, y−1, z+1; (v) x, y+1, z.

Acknowledgements

This work was supported by the Key Project of the Natural Science Foundation of Heilongjiang Province (No. ZD200903), the Innovation Team of the Education Bureau of Heilongjiang Province (No. 2010 t d03), the Key Project of the Education Bureau of Heilongjiang Province (No. 12511z023) and the University of Malaya.

References

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Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan. Google Scholar
Rigaku/MSC (2002). CrystalClear. Rigaku/MSC Inc., The Woodlands, Texas, USA. Google Scholar
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