Diaqua­bis[3-(2-hydroxy­ethyl)-2-methyl-4-oxopyrido[1,2-a]pyrimidin-9-olato-κ2N1,O9]manganese(II)

Sun, Y.; Jiang, X.-D.; Li, X.-B.

doi:10.1107/S160053680801369X

metal-organic compounds

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 64| Part 6| June 2008| Page m801

doi:10.1107/S160053680801369X

Open

access

Diaquabis[3-(2-hydroxyethyl)-2-methyl-4-oxopyrido[1,2-a]pyrimidin-9-olato-κ²N¹,O⁹]manganese(II)

Yu Sun,^a,^b ^* Xin-Dong Jiang ^a and Xiu-Bing Li ^a

^aOrdered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China, and ^bCollege of Pharmacy, Jiangsu University, Zhenjiang 212013, People's Republic of China
^*Correspondence e-mail: chmsunbw@seu.edu.cn

(Received 17 April 2008; accepted 8 May 2008; online 10 May 2008)

The title compound, [Mn(C₁₁H₁₁N₂O₃)₂(H₂O)₂], consists of discrete mononuclear complex molecules. The Mn^II atom is located on an inversion center and coordinated by two N atoms and two O atoms, each pair in a trans mode, from two 3-(2-hydroxyethyl)-2-methyl-4-oxopyrido[1,2-a]pyrimidin-9-olate ligands and by two water molecules. The coordination geometry around the Mn^II atom is slightly distorted octahedral. Molecules are linked by O—H⋯O hydrogen bonds into a three-dimensional network.

Related literature

For related literature, see: Bayot et al. (2006 ); Chen et al. (2007 ); Wu et al. (2006 ).

Experimental

Crystal data

[Mn(C₁₁H₁₁N₂O₃)₂(H₂O)₂]
M_r = 529.41
Monoclinic, P 2₁ /n
a = 5.2656 (11) Å
b = 14.620 (3) Å
c = 14.715 (3) Å
β = 97.35 (3)°
V = 1123.5 (4) Å³
Z = 2
Mo Kα radiation
μ = 0.65 mm⁻¹
T = 293 (2) K
0.15 × 0.12 × 0.06 mm

Data collection

Rigaku Scxmini 1K CCD area-detector diffractometer
Absorption correction: multi-scan (CrystalClear; Rigaku, 2005 ) T_min = 0.904, T_max = 0.965
9361 measured reflections
1971 independent reflections
1553 reflections with I > 2σ(I)
R_int = 0.063

Refinement

R[F² > 2σ(F²)] = 0.047
wR(F²) = 0.108
S = 1.04
1971 reflections
172 parameters
1 restraint
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.27 e Å⁻³
Δρ_min = −0.25 e Å⁻³

Table 1
Selected geometric parameters (Å, °)

Mn1—O1	2.143 (2)
Mn1—O1W	2.166 (2)
Mn1—N1	2.368 (2)

O1ⁱ—Mn1—O1W	92.31 (9)
O1—Mn1—O1W	87.69 (9)
O1ⁱ—Mn1—N1	106.56 (8)
O1—Mn1—N1	73.44 (8)
O1Wⁱ—Mn1—N1	92.98 (9)
O1W—Mn1—N1	87.02 (9)
Symmetry code: (i) -x, -y+2, -z+1.

Table 2
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1W—H1WB⋯O3ⁱⁱ	0.83 (4)	1.94 (5)	2.761 (4)	171 (4)
O1W—H1WA⋯O1ⁱⁱⁱ	0.81 (5)	1.87 (5)	2.680 (3)	177 (5)
O3—H3B⋯O2^iv	0.80 (3)	1.98 (4)	2.772 (4)	168 (4)
Symmetry codes: (ii) $[x-{\script{1\over 2}}, -y+{\script{3\over 2}}, z-{\script{1\over 2}}]$ ; (iii) x+1, y, z; (iv) -x+1, -y+1, -z+1.

Data collection: CrystalClear (Rigaku, 2005); cell refinement: CrystalClear; data reduction: CrystalClear; 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: SHELXTL.

Supporting information

Crystal structure: contains datablocks I, global. DOI: 10.1107/S160053680801369X/hy2131sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S160053680801369X/hy2131Isup2.hkl

checkCIF report

Comment top

In the past decade, much attention has been paid to the design and synthesis of self-assembling systems with organic ligands containing N and O donors (Bayot et al., 2006; Chen et al., 2007). Quinolin-8-ol is such a ligand and the crystal structure of a complex containing it has been reported (Wu et al., 2006). We report here the synthesis and crystal structure of the title compound.

In the title compound (Fig. 1), the Mn^II atom is located on a crystallographic inversion center and adopts a distorted octahedral coordination geometry. The coordination environment is defined by two N atoms and two O atoms from two ligands in the equatorial plane and by two water molecules in the axial positions (Table 1). Intermolecular O—H···O hydrogen bonds involving the hydroxyl groups and water molecules as donors connect the molecules into a three-dimensional network (Table 2; Fig. 2).

Related literature top

For related literature, see: Bayot et al. (2006); Chen et al. (2007); Wu et al. (2006).

Experimental top

Manganese carbonate (0.028 g, 0.1 mmol) was added with constant stirring to a ethanol solution (10 ml) containing 3-(2-hydroxyethyl)-2-methyl-9-hydroxylpyrido[1,2-a]pyrimidin-4-one (0.022 g, 0.1 mmol). The mixture was then filtered off. After a few days, brown single crystals in the form of rectangular blocks deposited. They were separated off, washed with cold ethanol and dried in air at room temperature.

Computing details top

Data collection: CrystalClear (Rigaku, 2005); cell refinement: CrystalClear (Rigaku, 2005); data reduction: CrystalClear (Rigaku, 2005); 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: SHELXTL (Sheldrick, 2008).

Figures top

	Fig. 1. The molecular structure of the title compound. Displacement ellipsoids are drawn at the 30% probability level. H atoms have been omitted for clarity. [Symmetry code: (i) -x, -y + 2, -z + 1.]
	Fig. 2. Crystal packing of the title compound. Hydrogen bonds are shown as dashed lines. H atoms have been omitted for clarity.

Diaquabis[3-(2-hydroxyethyl)-2-methyl-4-oxopyrido[1,2-a]pyrimidin- 9-olato-κ²N¹,O⁹]manganese(II) top

Crystal data top

[Mn(C₁₁H₁₁N₂O₃)₂(H₂O)₂]	F(000) = 550
M_r = 529.41	D_x = 1.565 Mg m⁻³
Monoclinic, P2₁/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 4792 reflections
a = 5.2656 (11) Å	θ = 3.1–25.0°
b = 14.620 (3) Å	µ = 0.65 mm⁻¹
c = 14.715 (3) Å	T = 293 K
β = 97.35 (3)°	Block, brown
V = 1123.5 (4) Å³	0.15 × 0.12 × 0.06 mm
Z = 2

Data collection top

Rigaku Scxmini 1K CCD area-detector diffractometer	1971 independent reflections
Radiation source: fine-focus sealed tube	1553 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.063
Detector resolution: 8.192 pixels mm^-1	θ_max = 25.0°, θ_min = 3.1°
thin–slice ω scans	h = −6→6
Absorption correction: multi-scan (CrystalClear; Rigaku, 2005)	k = −17→17
T_min = 0.904, T_max = 0.965	l = −17→17
9361 measured reflections

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)] = 0.047	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.108	H atoms treated by a mixture of independent and constrained refinement
S = 1.05	w = 1/[σ²(F_o²) + (0.0407P)² + 1.0124P] where P = (F_o² + 2F_c²)/3
1971 reflections	(Δ/σ)_max < 0.001
172 parameters	Δρ_max = 0.27 e Å⁻³
1 restraint	Δρ_min = −0.25 e Å⁻³

Crystal data top

[Mn(C₁₁H₁₁N₂O₃)₂(H₂O)₂]	V = 1123.5 (4) Å³
M_r = 529.41	Z = 2
Monoclinic, P2₁/n	Mo Kα radiation
a = 5.2656 (11) Å	µ = 0.65 mm⁻¹
b = 14.620 (3) Å	T = 293 K
c = 14.715 (3) Å	0.15 × 0.12 × 0.06 mm
β = 97.35 (3)°

Data collection top

Rigaku Scxmini 1K CCD area-detector diffractometer	1971 independent reflections
Absorption correction: multi-scan (CrystalClear; Rigaku, 2005)	1553 reflections with I > 2σ(I)
T_min = 0.904, T_max = 0.965	R_int = 0.063
9361 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.047	1 restraint
wR(F²) = 0.108	H atoms treated by a mixture of independent and constrained refinement
S = 1.05	Δρ_max = 0.27 e Å⁻³
1971 reflections	Δρ_min = −0.25 e Å⁻³
172 parameters

Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

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

	x	y	z	U_iso*/U_eq
Mn1	0.0000	1.0000	0.5000	0.0287 (2)
N2	−0.0870 (5)	0.71347 (17)	0.40610 (17)	0.0305 (6)
C8	0.2483 (6)	0.7863 (2)	0.5424 (2)	0.0299 (7)
C7	0.2868 (6)	0.6962 (2)	0.5179 (2)	0.0331 (7)
C1	−0.1042 (6)	0.8032 (2)	0.4332 (2)	0.0276 (7)
C6	0.1200 (6)	0.6554 (2)	0.4466 (2)	0.0349 (8)
C2	−0.3130 (6)	0.8590 (2)	0.3894 (2)	0.0304 (7)
C3	−0.4831 (6)	0.8190 (2)	0.3220 (2)	0.0358 (8)
H3A	−0.6164	0.8534	0.2918	0.043*
C10	0.4954 (6)	0.6367 (2)	0.5655 (2)	0.0374 (8)
H10A	0.6367	0.6748	0.5920	0.045*
H10B	0.5583	0.5962	0.5212	0.045*
C4	−0.4570 (7)	0.7271 (2)	0.2988 (2)	0.0415 (8)
H4A	−0.5763	0.7011	0.2541	0.050*
C9	0.4222 (6)	0.8307 (2)	0.6180 (2)	0.0391 (8)
H9A	0.3679	0.8926	0.6257	0.059*
H9B	0.5942	0.8306	0.6029	0.059*
H9C	0.4162	0.7975	0.6739	0.059*
C11	0.3977 (7)	0.5808 (2)	0.6400 (2)	0.0424 (9)
H11A	0.3216	0.6216	0.6810	0.051*
H11B	0.2645	0.5399	0.6124	0.051*
N1	0.0601 (4)	0.83949 (17)	0.49945 (17)	0.0287 (6)
C5	−0.2638 (6)	0.6753 (2)	0.3393 (2)	0.0385 (8)
H5A	−0.2493	0.6143	0.3226	0.046*
O1W	0.1917 (5)	1.00410 (18)	0.37828 (18)	0.0403 (6)
O2	0.1298 (5)	0.57713 (15)	0.41699 (17)	0.0468 (6)
O1	−0.3258 (4)	0.94368 (14)	0.41643 (15)	0.0343 (5)
O3	0.5924 (5)	0.52796 (17)	0.69223 (16)	0.0471 (6)
H1WB	0.144 (7)	0.995 (3)	0.323 (3)	0.048 (11)*
H1WA	0.339 (9)	0.986 (3)	0.388 (3)	0.077 (16)*
H3B	0.653 (8)	0.495 (2)	0.657 (2)	0.070 (15)*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Mn1	0.0246 (3)	0.0276 (4)	0.0328 (4)	0.0007 (3)	−0.0004 (3)	−0.0054 (3)
N2	0.0335 (14)	0.0257 (14)	0.0325 (15)	0.0011 (11)	0.0045 (12)	−0.0006 (11)
C8	0.0295 (16)	0.0291 (17)	0.0313 (17)	−0.0005 (14)	0.0046 (13)	0.0042 (13)
C7	0.0350 (18)	0.0299 (18)	0.0349 (18)	0.0028 (14)	0.0063 (14)	0.0035 (14)
C1	0.0286 (16)	0.0254 (16)	0.0301 (16)	−0.0011 (13)	0.0085 (13)	0.0006 (13)
C6	0.0389 (18)	0.0293 (18)	0.0374 (18)	0.0045 (14)	0.0083 (15)	0.0032 (14)
C2	0.0264 (16)	0.0314 (17)	0.0340 (18)	−0.0011 (13)	0.0059 (13)	−0.0006 (14)
C3	0.0325 (17)	0.0357 (18)	0.0368 (19)	−0.0002 (14)	−0.0045 (14)	−0.0035 (14)
C10	0.0375 (18)	0.0300 (18)	0.044 (2)	0.0045 (15)	0.0041 (15)	0.0037 (15)
C4	0.041 (2)	0.042 (2)	0.039 (2)	−0.0059 (16)	−0.0030 (16)	−0.0081 (16)
C9	0.0379 (19)	0.0322 (18)	0.044 (2)	0.0029 (15)	−0.0067 (15)	−0.0009 (15)
C11	0.043 (2)	0.040 (2)	0.043 (2)	0.0061 (16)	0.0035 (16)	0.0033 (16)
N1	0.0252 (14)	0.0262 (14)	0.0332 (14)	−0.0008 (10)	−0.0016 (12)	0.0000 (11)
C5	0.045 (2)	0.0322 (18)	0.0376 (19)	−0.0078 (16)	0.0025 (16)	−0.0091 (15)
O1W	0.0290 (13)	0.0563 (16)	0.0350 (14)	0.0032 (13)	0.0015 (10)	−0.0080 (13)
O2	0.0568 (16)	0.0277 (13)	0.0552 (16)	0.0052 (11)	0.0045 (12)	−0.0095 (11)
O1	0.0263 (11)	0.0286 (12)	0.0456 (13)	0.0031 (9)	−0.0047 (10)	−0.0063 (10)
O3	0.0625 (17)	0.0437 (15)	0.0330 (14)	0.0158 (13)	−0.0024 (12)	0.0027 (11)

Geometric parameters (Å, º) top

Mn1—O1ⁱ	2.143 (2)	C2—C3	1.378 (4)
Mn1—O1	2.143 (2)	C3—C4	1.398 (5)
Mn1—O1Wⁱ	2.166 (2)	C3—H3A	0.9300
Mn1—O1W	2.166 (2)	C10—C11	1.510 (5)
Mn1—N1ⁱ	2.368 (2)	C10—H10A	0.9700
Mn1—N1	2.368 (2)	C10—H10B	0.9700
N2—C1	1.378 (4)	C4—C5	1.346 (5)
N2—C5	1.382 (4)	C4—H4A	0.9300
N2—C6	1.448 (4)	C9—H9A	0.9600
C8—N1	1.351 (4)	C9—H9B	0.9600
C8—C7	1.387 (4)	C9—H9C	0.9600
C8—C9	1.495 (4)	C11—O3	1.425 (4)
C7—C6	1.411 (5)	C11—H11A	0.9700
C7—C10	1.502 (4)	C11—H11B	0.9700
C1—N1	1.328 (4)	C5—H5A	0.9300
C1—C2	1.453 (4)	O1W—H1WB	0.81 (4)
C6—O2	1.228 (4)	O1W—H1WA	0.82 (5)
C2—O1	1.304 (4)	O3—H3B	0.80 (3)

O1ⁱ—Mn1—O1	180.0	C2—C3—H3A	119.7
O1ⁱ—Mn1—O1Wⁱ	87.69 (9)	C4—C3—H3A	119.7
O1—Mn1—O1Wⁱ	92.31 (9)	C7—C10—C11	110.8 (3)
O1ⁱ—Mn1—O1W	92.31 (9)	C7—C10—H10A	109.5
O1—Mn1—O1W	87.69 (9)	C11—C10—H10A	109.5
O1Wⁱ—Mn1—O1W	180.000 (1)	C7—C10—H10B	109.5
O1ⁱ—Mn1—N1	106.56 (8)	C11—C10—H10B	109.5
O1—Mn1—N1	73.44 (8)	H10A—C10—H10B	108.1
O1Wⁱ—Mn1—N1	92.98 (9)	C5—C4—C3	121.7 (3)
O1W—Mn1—N1	87.02 (9)	C5—C4—H4A	119.2
O1ⁱ—Mn1—N1ⁱ	73.44 (8)	C3—C4—H4A	119.2
O1—Mn1—N1ⁱ	106.56 (8)	C8—C9—H9A	109.5
O1Wⁱ—Mn1—N1ⁱ	87.02 (9)	C8—C9—H9B	109.5
O1W—Mn1—N1ⁱ	92.98 (9)	H9A—C9—H9B	109.5
N1—Mn1—N1ⁱ	180.000 (1)	C8—C9—H9C	109.5
C1—N2—C5	121.9 (3)	H9A—C9—H9C	109.5
C1—N2—C6	120.8 (3)	H9B—C9—H9C	109.5
C5—N2—C6	117.3 (3)	O3—C11—C10	113.4 (3)
N1—C8—C7	123.1 (3)	O3—C11—H11A	108.9
N1—C8—C9	116.2 (3)	C10—C11—H11A	108.9
C7—C8—C9	120.7 (3)	O3—C11—H11B	108.9
C8—C7—C6	119.8 (3)	C10—C11—H11B	108.9
C8—C7—C10	123.4 (3)	H11A—C11—H11B	107.7
C6—C7—C10	116.8 (3)	C1—N1—C8	118.9 (3)
N1—C1—N2	122.2 (3)	C1—N1—Mn1	108.89 (18)
N1—C1—C2	119.1 (3)	C8—N1—Mn1	131.21 (19)
N2—C1—C2	118.7 (3)	C4—C5—N2	119.3 (3)
O2—C6—C7	127.4 (3)	C4—C5—H5A	120.3
O2—C6—N2	117.6 (3)	N2—C5—H5A	120.3
C7—C6—N2	115.0 (3)	Mn1—O1W—H1WB	134 (3)
O1—C2—C3	124.6 (3)	Mn1—O1W—H1WA	113 (3)
O1—C2—C1	117.6 (3)	H1WB—O1W—H1WA	106 (4)
C3—C2—C1	117.8 (3)	C2—O1—Mn1	118.08 (18)
C2—C3—C4	120.6 (3)	C11—O3—H3B	107 (3)

N1—C8—C7—C6	−2.0 (5)	C7—C10—C11—O3	−175.6 (3)
C9—C8—C7—C6	179.8 (3)	N2—C1—N1—C8	−0.9 (4)
N1—C8—C7—C10	−179.9 (3)	C2—C1—N1—C8	177.5 (3)
C9—C8—C7—C10	1.8 (5)	N2—C1—N1—Mn1	168.9 (2)
C5—N2—C1—N1	177.7 (3)	C2—C1—N1—Mn1	−12.6 (3)
C6—N2—C1—N1	−2.6 (4)	C7—C8—N1—C1	3.3 (4)
C5—N2—C1—C2	−0.7 (4)	C9—C8—N1—C1	−178.4 (3)
C6—N2—C1—C2	179.0 (3)	C7—C8—N1—Mn1	−163.9 (2)
C8—C7—C6—O2	179.6 (3)	C9—C8—N1—Mn1	14.4 (4)
C10—C7—C6—O2	−2.3 (5)	O1ⁱ—Mn1—N1—C1	−166.19 (19)
C8—C7—C6—N2	−1.4 (4)	O1—Mn1—N1—C1	13.81 (19)
C10—C7—C6—N2	176.6 (3)	O1Wⁱ—Mn1—N1—C1	105.3 (2)
C1—N2—C6—O2	−177.3 (3)	O1ⁱ—Mn1—N1—C8	2.0 (3)
C5—N2—C6—O2	2.4 (4)	O1—Mn1—N1—C8	−178.0 (3)
C1—N2—C6—C7	3.6 (4)	O1Wⁱ—Mn1—N1—C8	−86.5 (3)
C5—N2—C6—C7	−176.7 (3)	O1W—Mn1—N1—C8	93.5 (3)
N1—C1—C2—O1	1.3 (4)	C3—C4—C5—N2	0.4 (5)
N2—C1—C2—O1	179.8 (3)	C1—N2—C5—C4	0.7 (5)
N1—C1—C2—C3	−178.9 (3)	C6—N2—C5—C4	−179.0 (3)
N2—C1—C2—C3	−0.4 (4)	C3—C2—O1—Mn1	−166.9 (2)
O1—C2—C3—C4	−178.8 (3)	C1—C2—O1—Mn1	12.9 (3)
C1—C2—C3—C4	1.4 (5)	O1Wⁱ—Mn1—O1—C2	−106.8 (2)
C8—C7—C10—C11	94.0 (4)	O1W—Mn1—O1—C2	73.2 (2)
C6—C7—C10—C11	−84.0 (4)	N1—Mn1—O1—C2	−14.4 (2)
C2—C3—C4—C5	−1.5 (5)	N1ⁱ—Mn1—O1—C2	165.6 (2)

Symmetry code: (i) −x, −y+2, −z+1.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1WB···O3ⁱⁱ	0.83 (4)	1.94 (5)	2.761 (4)	171 (4)
O1W—H1WA···O1ⁱⁱⁱ	0.81 (5)	1.87 (5)	2.680 (3)	177 (5)
O3—H3B···O2^iv	0.80 (3)	1.98 (4)	2.772 (4)	168 (4)

Symmetry codes: (ii) x−1/2, −y+3/2, z−1/2; (iii) x+1, y, z; (iv) −x+1, −y+1, −z+1.

Experimental details

Crystal data
Chemical formula	[Mn(C₁₁H₁₁N₂O₃)₂(H₂O)₂]
M_r	529.41
Crystal system, space group	Monoclinic, P2₁/n
Temperature (K)	293
a, b, c (Å)	5.2656 (11), 14.620 (3), 14.715 (3)
β (°)	97.35 (3)
V (Å³)	1123.5 (4)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	0.65
Crystal size (mm)	0.15 × 0.12 × 0.06

Data collection
Diffractometer	Rigaku Scxmini 1K CCD area-detector diffractometer
Absorption correction	Multi-scan (CrystalClear; Rigaku, 2005)
T_min, T_max	0.904, 0.965
No. of measured, independent and observed [I > 2σ(I)] reflections	9361, 1971, 1553
R_int	0.063
(sin θ/λ)_max (Å⁻¹)	0.595

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.047, 0.108, 1.05
No. of reflections	1971
No. of parameters	172
No. of restraints	1
H-atom treatment	H atoms treated by a mixture of independent and constrained refinement
Δρ_max, Δρ_min (e Å⁻³)	0.27, −0.25

Computer programs: CrystalClear (Rigaku, 2005), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).

Selected geometric parameters (Å, º) top

Mn1—O1	2.143 (2)	Mn1—N1	2.368 (2)
Mn1—O1W	2.166 (2)

O1ⁱ—Mn1—O1W	92.31 (9)	O1—Mn1—N1	73.44 (8)
O1—Mn1—O1W	87.69 (9)	O1Wⁱ—Mn1—N1	92.98 (9)
O1ⁱ—Mn1—N1	106.56 (8)	O1W—Mn1—N1	87.02 (9)

Symmetry code: (i) −x, −y+2, −z+1.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1WB···O3ⁱⁱ	0.83 (4)	1.94 (5)	2.761 (4)	171 (4)
O1W—H1WA···O1ⁱⁱⁱ	0.81 (5)	1.87 (5)	2.680 (3)	177 (5)
O3—H3B···O2^iv	0.80 (3)	1.98 (4)	2.772 (4)	168 (4)

Symmetry codes: (ii) x−1/2, −y+3/2, z−1/2; (iii) x+1, y, z; (iv) −x+1, −y+1, −z+1.

References

Bayot, D., Degand, M., Tinant, B. & Devillers, M. (2006). Inorg. Chem. Commun. 359, 1390–1394. CAS Google Scholar
Chen, K., Zhang, Y.-L., Feng, M.-Q. & Liu, C.-H. (2007). Acta Cryst. E63, m2033. Web of Science CSD CrossRef IUCr Journals Google Scholar
Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan. Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar
Wu, H., Dong, X.-W., Liu, H.-Y. & Ma, J.-F. (2006). Acta Cryst. E62, m281–m282. Web of Science CSD CrossRef IUCr Journals Google Scholar

This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 64| Part 6| June 2008| Page m801

doi:10.1107/S160053680801369X

Open

access

Format		BIBTeX
		EndNote
		RefMan
		Refer
		Medline
		CIF
		SGML
		Plain Text

Format		BIBTeX
		EndNote
		RefMan
		Refer
		Medline
		CIF
		SGML
		Plain Text

Search IUCr Journals		doi		Advanced search
Author		volume	page

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