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

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ISSN: 2056-9890

trans,trans,trans-Di­aquabis(nicotinamide-κN)bis­­(2-nitro­benzoato-κO)cadmium(II) dihydrate

aCollege of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou 225002, People's Republic of China, and bDepartment of Chemistry, University of Malaya, 50603, Kuala Lumpur, Malaysia
*Correspondence e-mail: seikweng@um.edu.my

(Received 21 January 2009; accepted 16 February 2009; online 21 February 2009)

The cadmium atom in the title compound, [Cd(C7H4NO4)2(C6H6N2O)2(H2O)2]·2H2O, lies on a center of inversion in an all-trans octa­hedral environment. In the crystal, the complex inter­acts with the uncoordinated water mol­ecules through O—H⋯O and N—H⋯O hydrogen bonds, forming a layered network.

Related literature

There are several examples of diaquadi(aryl­carboxyl­ato)di(nicotinamide)metal(II) compounds. For recent examples, see: Hökelek & Necefoğlu (2007a[Hökelek, T. & Necefoğlu, H. (2007a). Acta Cryst. E63, m1078-m1080.],b[Hökelek, T. & Necefoğlu, H. (2007b). Acta Cryst. E63, m1279-m1281.]); Hökelek et al. (2007[Hökelek, T., Çaylak, N. & Necefoğlu, H. (2007). Acta Cryst. E63, m1873-m1874.]); Koksharova et al. (2006[Koksharova, T. V., Sadikov, G. G., Antsyshkina, A. S., Gritsenko, I. S., Sergienko, V. S. & Egorova, O. A. (2006). Russ. J. Inorg. Chem. 51, 895-900.]); Şahin et al. (2007a[Şahin, O., Büyükgüngör, O., Köse, D. A. & Necefoglu, H. (2007a). Acta Cryst. C63, m510-m512.],b[Şahin, O., Büyükgüngör, O., Köse, D. A., Ozturkkan, E. F. & Necefoglu, H. (2007b). Acta Cryst. C63, m243-m245.]); Stachova et al. (2006[Stachova, P., Melnik, M., Korobik, M., Mrozinski, M., Koman, M., Glowiak, T. & Valigura, D. (2006). Inorg. Chim. Acta, 360, 1517-1522.]); Çaylak et al. (2007[Çaylak, N., Hökelek, T. & Necefoğlu, H. (2007). Acta Cryst. E63, m1341-m1343.]).

[Scheme 1]

Experimental

Crystal data
  • [Cd(C7H4NO4)2(C6H6N2O)2(H2O)2]·2H2O

  • Mr = 760.94

  • Monoclinic, P 21 /n

  • a = 7.9365 (8) Å

  • b = 19.589 (2) Å

  • c = 10.059 (1) Å

  • β = 103.178 (2)°

  • V = 1522.6 (3) Å3

  • Z = 2

  • Mo Kα radiation

  • μ = 0.80 mm−1

  • T = 293 K

  • 0.50 × 0.18 × 0.18 mm

Data collection
  • Bruker SMART area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.619, Tmax = 0.866

  • 4427 measured reflections

  • 2651 independent reflections

  • 2396 reflections with I > 2σ(I)

  • Rint = 0.016

Refinement
  • R[F2 > 2σ(F2)] = 0.034

  • wR(F2) = 0.093

  • S = 1.13

  • 2651 reflections

  • 246 parameters

  • 9 restraints

  • H atoms treated by a mixture of independent and constrained refinement

  • Δρmax = 0.42 e Å−3

  • Δρmin = −1.04 e Å−3

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A D—H H⋯A DA D—H⋯A
O1w—H11⋯O2w 0.85 (4) 1.92 (4) 2.764 (4) 174 (4)
O1w—H12⋯O2i 0.85 (4) 1.95 (5) 2.718 (4) 150 (4)
O2w—H21⋯O5i 0.85 (3) 2.08 (3) 2.910 (4) 166 (4)
O2w—H22⋯O1ii 0.85 (3) 2.00 (1) 2.846 (3) 177 (5)
N3—H31⋯O2iii 0.85 (3) 2.22 (2) 3.038 (4) 165 (4)
N3—H32⋯O5iv 0.85 (3) 2.05 (3) 2.873 (4) 164 (4)
Symmetry codes: (i) -x+1, -y+1, -z+1; (ii) -x+2, -y+1, -z+1; (iii) x, y, z+1; (iv) -x, -y+1, -z+2.

Data collection: SMART (Bruker, 2000[Bruker (2000). SAINT and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2000[Bruker (2000). SAINT and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: X-SEED (Barbour, 2001[Barbour, L. J. (2001). J. Supramol. Chem., 1, 189-191.]); software used to prepare material for publication: publCIF (Westrip, 2009[Westrip, S. P. (2009). publCIF. In preparation.]).

Supporting information


Related literature top

There are several examples of diaquadi(arylcarboxylato)di(nicotinamide)metal(II) compounds. For recent examples, see: Hökelek & Necefoğlu (2007a,b); Hökelek et al. (2007); Koksharova et al. (2006); Şahin et al. (2007a,b); Stachova et al. (2006); Çaylak et al. (2007).

Experimental top

A water/methanol (1:1 v/v) solution (3 ml) of cadmium nitrate trihydrate (0.082 g, 0.3 mmol) was added to a water/methanol (1:1 v/v) solution (3 ml) of 2-nitrobenzoic acid (0.100 g, 0.6 mmol), sodium hydroxide (0.024 g, 0.6 mmol) and nicotinamide (0.073 g, 0.6 mmol). A white powder was obtained after several days; this was recrystallized from DMF/methanol (3:1 v/v) to give colorless crystals in 50% yield. CH&N elemental analysis. Calculated for C26H28CdN6O14: C 41.04 H 3.68 N 11.04%; found: C 40.08, H 3.87, N 10.93%.

Refinement top

Carbon-bound H atoms were placed in calculated positions and were allowed to ride on the parent atoms. N and O-bound H atoms were located in a difference Fourier map, and were refined with distance restraints N–H = O–H = 0.85±0.01 Å; for the water molecules, an additional H···H 1.39±0.01 Å restraint was used. Their temperature factors were freely refined.

The measurements are 100% at the 2θ limit of 50 °.

Computing details top

Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT (Bruker, 2000); 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, 2009).

Figures top
[Figure 1] Fig. 1. Thermal ellipsoid plot of Cd(H2O)2(C7H4NO4)2(C6H6N2O)2.2H2O; displacement ellipsoids are drawn at the 50% probabability level, and H atoms as spheres of arbitrary radii.
trans,trans,trans-Diaquabis(nicotinamide-κN)bis(2- nitrobenzoato-κO)cadmium(II) dihydrate top
Crystal data top
[Cd(C7H4NO4)2(C6H6N2O)2(H2O)2]·2H2OF(000) = 772
Mr = 760.94Dx = 1.660 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 3417 reflections
a = 7.9365 (8) Åθ = 2.1–25.1°
b = 19.589 (2) ŵ = 0.80 mm1
c = 10.059 (1) ÅT = 293 K
β = 103.178 (2)°Rod, colorless
V = 1522.6 (3) Å30.50 × 0.18 × 0.18 mm
Z = 2
Data collection top
Bruker SMART area-detector
diffractometer
2651 independent reflections
Radiation source: medium-focus sealed tube2396 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.016
ϕ and ω scansθmax = 25.1°, θmin = 2.1°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 93
Tmin = 0.619, Tmax = 0.866k = 2023
4427 measured reflectionsl = 1111
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.034Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.093H atoms treated by a mixture of independent and constrained refinement
S = 1.13 w = 1/[σ2(Fo2) + (0.0433P)2 + 2.3534P]
where P = (Fo2 + 2Fc2)/3
2651 reflections(Δ/σ)max = 0.001
246 parametersΔρmax = 0.42 e Å3
9 restraintsΔρmin = 1.04 e Å3
Crystal data top
[Cd(C7H4NO4)2(C6H6N2O)2(H2O)2]·2H2OV = 1522.6 (3) Å3
Mr = 760.94Z = 2
Monoclinic, P21/nMo Kα radiation
a = 7.9365 (8) ŵ = 0.80 mm1
b = 19.589 (2) ÅT = 293 K
c = 10.059 (1) Å0.50 × 0.18 × 0.18 mm
β = 103.178 (2)°
Data collection top
Bruker SMART area-detector
diffractometer
2651 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
2396 reflections with I > 2σ(I)
Tmin = 0.619, Tmax = 0.866Rint = 0.016
4427 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0349 restraints
wR(F2) = 0.093H atoms treated by a mixture of independent and constrained refinement
S = 1.13Δρmax = 0.42 e Å3
2651 reflectionsΔρmin = 1.04 e Å3
246 parameters
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Cd10.50000.50000.50000.02349 (13)
O10.6570 (3)0.40982 (12)0.4385 (2)0.0312 (5)
O20.4256 (3)0.36571 (14)0.2970 (3)0.0428 (7)
O30.3595 (4)0.23243 (19)0.1217 (4)0.0693 (10)
O40.4552 (5)0.2124 (2)0.3355 (4)0.0835 (12)
O50.0789 (4)0.48477 (17)0.8538 (3)0.0505 (8)
O1W0.7685 (3)0.55083 (13)0.5819 (3)0.0362 (6)
H110.842 (5)0.561 (2)0.536 (4)0.055 (14)*
H120.737 (6)0.5868 (14)0.616 (5)0.082 (19)*
O2W0.9923 (3)0.57871 (14)0.4149 (3)0.0375 (6)
H210.987 (5)0.556 (2)0.342 (3)0.079 (18)*
H221.097 (2)0.581 (2)0.460 (3)0.050 (13)*
N10.4713 (4)0.23414 (16)0.2260 (4)0.0438 (8)
N20.5129 (3)0.44979 (15)0.7119 (3)0.0291 (6)
N30.1940 (4)0.44256 (19)1.0627 (3)0.0405 (8)
H310.274 (4)0.424 (2)1.122 (3)0.055 (13)*
H320.114 (4)0.457 (2)1.098 (3)0.049 (12)*
C10.6994 (4)0.32348 (16)0.2832 (3)0.0237 (6)
C20.6421 (4)0.26190 (17)0.2198 (3)0.0282 (7)
C30.7386 (5)0.22316 (19)0.1503 (4)0.0386 (9)
H30.69420.18290.10700.047 (12)*
C40.9033 (5)0.2454 (2)0.1459 (4)0.0407 (9)
H40.97140.21960.10080.047 (12)*
C50.9655 (5)0.3057 (2)0.2087 (4)0.0430 (9)
H51.07610.32050.20630.057 (13)*
C60.8643 (4)0.34455 (19)0.2755 (4)0.0337 (8)
H60.90750.38550.31610.046 (12)*
C70.5842 (4)0.36885 (16)0.3458 (3)0.0262 (7)
C80.3792 (4)0.46351 (17)0.7674 (3)0.0256 (7)
H80.29750.49510.72380.044 (12)*
C90.3553 (4)0.43356 (17)0.8857 (3)0.0273 (7)
C100.4767 (5)0.3864 (2)0.9499 (4)0.0399 (9)
H100.46450.36481.02950.044 (11)*
C110.6165 (5)0.3721 (2)0.8941 (4)0.0461 (10)
H11A0.70040.34100.93620.055 (13)*
C120.6301 (5)0.40434 (19)0.7751 (4)0.0352 (8)
H12A0.72390.39420.73750.052 (12)*
C130.1972 (4)0.45472 (18)0.9337 (3)0.0312 (7)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cd10.02157 (19)0.0277 (2)0.0224 (2)0.00033 (12)0.00743 (13)0.00046 (12)
O10.0292 (12)0.0324 (13)0.0303 (12)0.0020 (10)0.0034 (10)0.0075 (10)
O20.0268 (13)0.0550 (17)0.0443 (15)0.0049 (12)0.0033 (11)0.0207 (13)
O30.0398 (17)0.078 (2)0.085 (3)0.0141 (16)0.0042 (17)0.027 (2)
O40.087 (3)0.098 (3)0.078 (3)0.041 (2)0.044 (2)0.003 (2)
O50.0388 (16)0.084 (2)0.0318 (15)0.0297 (15)0.0135 (12)0.0122 (14)
O1W0.0273 (13)0.0406 (14)0.0416 (15)0.0066 (11)0.0094 (11)0.0085 (12)
O2W0.0276 (13)0.0452 (15)0.0390 (15)0.0019 (11)0.0061 (11)0.0039 (12)
N10.0417 (19)0.0363 (18)0.057 (2)0.0114 (14)0.0190 (17)0.0155 (16)
N20.0251 (14)0.0348 (15)0.0274 (15)0.0037 (12)0.0059 (11)0.0027 (12)
N30.0366 (17)0.066 (2)0.0223 (15)0.0158 (16)0.0128 (13)0.0093 (15)
C10.0281 (16)0.0240 (16)0.0173 (14)0.0011 (13)0.0015 (12)0.0017 (12)
C20.0282 (17)0.0258 (17)0.0313 (17)0.0024 (13)0.0083 (14)0.0016 (14)
C30.051 (2)0.0263 (18)0.041 (2)0.0017 (16)0.0154 (17)0.0088 (16)
C40.042 (2)0.040 (2)0.045 (2)0.0102 (17)0.0185 (17)0.0024 (17)
C50.0305 (19)0.047 (2)0.056 (3)0.0013 (17)0.0203 (18)0.0033 (19)
C60.0303 (18)0.0349 (19)0.0359 (19)0.0044 (15)0.0075 (15)0.0083 (15)
C70.0254 (16)0.0243 (16)0.0297 (17)0.0019 (13)0.0078 (13)0.0013 (13)
C80.0246 (16)0.0309 (18)0.0201 (15)0.0033 (13)0.0025 (12)0.0029 (13)
C90.0282 (17)0.0336 (18)0.0199 (15)0.0028 (14)0.0051 (13)0.0012 (13)
C100.042 (2)0.053 (2)0.0267 (18)0.0173 (18)0.0117 (15)0.0150 (17)
C110.041 (2)0.062 (3)0.035 (2)0.027 (2)0.0095 (17)0.0190 (19)
C120.0303 (18)0.046 (2)0.0317 (19)0.0088 (16)0.0117 (15)0.0022 (16)
C130.0304 (18)0.0375 (19)0.0274 (17)0.0051 (15)0.0098 (14)0.0027 (14)
Geometric parameters (Å, º) top
Cd1—O1i2.325 (2)C1—C21.391 (4)
Cd1—O12.325 (2)C1—C61.391 (5)
Cd1—O1Wi2.326 (2)C1—C71.512 (4)
Cd1—O1W2.326 (2)C2—C31.377 (5)
Cd1—N22.329 (3)C3—C41.388 (5)
Cd1—N2i2.329 (3)C3—H30.9300
O1—C71.266 (4)C4—C51.378 (6)
O2—C71.244 (4)C4—H40.9300
O3—N11.211 (5)C5—C61.386 (5)
O4—N11.214 (5)C5—H50.9300
O5—C131.237 (4)C6—H60.9300
O1W—H110.85 (4)C8—C91.378 (5)
O1W—H120.85 (4)C8—H80.9300
O2W—H210.85 (3)C9—C101.383 (5)
O2W—H220.85 (3)C9—C131.502 (5)
N1—C21.476 (4)C10—C111.382 (5)
N2—C81.334 (4)C10—H100.9300
N2—C121.339 (4)C11—C121.379 (5)
N3—C131.325 (4)C11—H11A0.9300
N3—H310.84 (3)C12—H12A0.9300
N3—H320.85 (3)
O1i—Cd1—O1180.000 (1)C1—C2—N1120.5 (3)
O1i—Cd1—O1Wi85.20 (9)C2—C3—C4118.7 (3)
O1—Cd1—O1Wi94.80 (9)C2—C3—H3120.7
O1i—Cd1—O1W94.80 (9)C4—C3—H3120.7
O1—Cd1—O1W85.20 (9)C5—C4—C3119.8 (3)
O1Wi—Cd1—O1W180.00 (12)C5—C4—H4120.1
O1i—Cd1—N289.52 (9)C3—C4—H4120.1
O1—Cd1—N290.48 (9)C4—C5—C6120.4 (3)
O1Wi—Cd1—N289.36 (10)C4—C5—H5119.8
O1W—Cd1—N290.64 (10)C6—C5—H5119.8
O1i—Cd1—N2i90.48 (9)C5—C6—C1121.4 (3)
O1—Cd1—N2i89.52 (9)C5—C6—H6119.3
O1Wi—Cd1—N2i90.64 (10)C1—C6—H6119.3
O1W—Cd1—N2i89.36 (10)O2—C7—O1125.0 (3)
N2—Cd1—N2i180.0O2—C7—C1117.4 (3)
C7—O1—Cd1119.7 (2)O1—C7—C1117.5 (3)
Cd1—O1W—H11126 (3)N2—C8—C9123.7 (3)
Cd1—O1W—H12100 (3)N2—C8—H8118.2
H11—O1W—H12109 (4)C9—C8—H8118.2
H21—O2W—H22109.4 (17)C8—C9—C10118.0 (3)
O3—N1—O4124.7 (4)C8—C9—C13116.7 (3)
O3—N1—C2118.2 (4)C10—C9—C13125.3 (3)
O4—N1—C2117.1 (4)C11—C10—C9118.9 (3)
C8—N2—C12117.9 (3)C11—C10—H10120.5
C8—N2—Cd1115.1 (2)C9—C10—H10120.5
C12—N2—Cd1126.6 (2)C12—C11—C10119.3 (3)
C13—N3—H31126 (3)C12—C11—H11A120.4
C13—N3—H32122 (2)C10—C11—H11A120.4
H31—N3—H32111.4 (18)N2—C12—C11122.2 (3)
C2—C1—C6116.4 (3)N2—C12—H12A118.9
C2—C1—C7122.4 (3)C11—C12—H12A118.9
C6—C1—C7121.0 (3)O5—C13—N3122.8 (3)
C3—C2—C1123.3 (3)O5—C13—C9119.2 (3)
C3—C2—N1116.2 (3)N3—C13—C9118.0 (3)
O1Wi—Cd1—O1—C722.2 (2)C4—C5—C6—C11.0 (6)
O1W—Cd1—O1—C7157.8 (2)C2—C1—C6—C50.3 (5)
N2—Cd1—O1—C7111.6 (2)C7—C1—C6—C5174.8 (3)
N2i—Cd1—O1—C768.4 (2)Cd1—O1—C7—O211.8 (5)
O1i—Cd1—N2—C829.7 (2)Cd1—O1—C7—C1163.9 (2)
O1—Cd1—N2—C8150.3 (2)C2—C1—C7—O227.5 (5)
O1Wi—Cd1—N2—C855.5 (2)C6—C1—C7—O2146.7 (3)
O1W—Cd1—N2—C8124.5 (2)C2—C1—C7—O1156.4 (3)
O1i—Cd1—N2—C12157.2 (3)C6—C1—C7—O129.4 (4)
O1—Cd1—N2—C1222.8 (3)C12—N2—C8—C90.0 (5)
O1Wi—Cd1—N2—C12117.6 (3)Cd1—N2—C8—C9173.7 (3)
O1W—Cd1—N2—C1262.4 (3)N2—C8—C9—C100.3 (5)
C6—C1—C2—C31.2 (5)N2—C8—C9—C13179.8 (3)
C7—C1—C2—C3173.2 (3)C8—C9—C10—C110.7 (6)
C6—C1—C2—N1178.0 (3)C13—C9—C10—C11179.9 (4)
C7—C1—C2—N17.5 (5)C9—C10—C11—C120.8 (7)
O3—N1—C2—C369.1 (5)C8—N2—C12—C110.1 (6)
O4—N1—C2—C3108.4 (4)Cd1—N2—C12—C11173.0 (3)
O3—N1—C2—C1111.6 (4)C10—C11—C12—N20.6 (7)
O4—N1—C2—C170.9 (5)C8—C9—C13—O515.8 (5)
C1—C2—C3—C41.9 (6)C10—C9—C13—O5163.7 (4)
N1—C2—C3—C4177.4 (3)C8—C9—C13—N3161.5 (3)
C2—C3—C4—C51.1 (6)C10—C9—C13—N319.0 (6)
C3—C4—C5—C60.3 (6)
Symmetry code: (i) x+1, y+1, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1w—H11···O2w0.85 (4)1.92 (4)2.764 (4)174 (4)
O1w—H12···O2i0.85 (4)1.95 (5)2.718 (4)150 (4)
O2w—H21···O5i0.85 (3)2.08 (3)2.910 (4)166 (4)
O2w—H22···O1ii0.85 (3)2.00 (1)2.846 (3)177 (5)
N3—H31···O2iii0.85 (3)2.22 (2)3.038 (4)165 (4)
N3—H32···O5iv0.85 (3)2.05 (3)2.873 (4)164 (4)
Symmetry codes: (i) x+1, y+1, z+1; (ii) x+2, y+1, z+1; (iii) x, y, z+1; (iv) x, y+1, z+2.

Experimental details

Crystal data
Chemical formula[Cd(C7H4NO4)2(C6H6N2O)2(H2O)2]·2H2O
Mr760.94
Crystal system, space groupMonoclinic, P21/n
Temperature (K)293
a, b, c (Å)7.9365 (8), 19.589 (2), 10.059 (1)
β (°) 103.178 (2)
V3)1522.6 (3)
Z2
Radiation typeMo Kα
µ (mm1)0.80
Crystal size (mm)0.50 × 0.18 × 0.18
Data collection
DiffractometerBruker SMART area-detector
diffractometer
Absorption correctionMulti-scan
(SADABS; Sheldrick, 1996)
Tmin, Tmax0.619, 0.866
No. of measured, independent and
observed [I > 2σ(I)] reflections
4427, 2651, 2396
Rint0.016
(sin θ/λ)max1)0.597
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.034, 0.093, 1.13
No. of reflections2651
No. of parameters246
No. of restraints9
H-atom treatmentH atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å3)0.42, 1.04

Computer programs: SMART (Bruker, 2000), SAINT (Bruker, 2000), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), X-SEED (Barbour, 2001), publCIF (Westrip, 2009).

Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1w—H11···O2w0.85 (4)1.92 (4)2.764 (4)174 (4)
O1w—H12···O2i0.85 (4)1.95 (5)2.718 (4)150 (4)
O2w—H21···O5i0.85 (3)2.08 (3)2.910 (4)166 (4)
O2w—H22···O1ii0.85 (3)2.00 (1)2.846 (3)177 (5)
N3—H31···O2iii0.85 (3)2.22 (2)3.038 (4)165 (4)
N3—H32···O5iv0.85 (3)2.05 (3)2.873 (4)164 (4)
Symmetry codes: (i) x+1, y+1, z+1; (ii) x+2, y+1, z+1; (iii) x, y, z+1; (iv) x, y+1, z+2.
 

Acknowledgements

We thank the Foundation of Jiangsu Provincial Key Program of Physical Chemistry in Yangzhou University and the University of Malaya for supporting this study.

References

First citationBarbour, L. J. (2001). J. Supramol. Chem., 1, 189–191.  CrossRef CAS Google Scholar
First citationBruker (2000). SAINT and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.  Google Scholar
First citationÇaylak, N., Hökelek, T. & Necefoğlu, H. (2007). Acta Cryst. E63, m1341–m1343.  Web of Science CSD CrossRef IUCr Journals Google Scholar
First citationHökelek, T., Çaylak, N. & Necefoğlu, H. (2007). Acta Cryst. E63, m1873–m1874.  Web of Science CSD CrossRef IUCr Journals Google Scholar
First citationHökelek, T. & Necefoğlu, H. (2007a). Acta Cryst. E63, m1078–m1080.  Web of Science CSD CrossRef IUCr Journals Google Scholar
First citationHökelek, T. & Necefoğlu, H. (2007b). Acta Cryst. E63, m1279–m1281.  Web of Science CSD CrossRef IUCr Journals Google Scholar
First citationKoksharova, T. V., Sadikov, G. G., Antsyshkina, A. S., Gritsenko, I. S., Sergienko, V. S. & Egorova, O. A. (2006). Russ. J. Inorg. Chem. 51, 895–900.  Web of Science CrossRef Google Scholar
First citationŞahin, O., Büyükgüngör, O., Köse, D. A. & Necefoglu, H. (2007a). Acta Cryst. C63, m510–m512.  Web of Science CSD CrossRef IUCr Journals Google Scholar
First citationŞahin, O., Büyükgüngör, O., Köse, D. A., Ozturkkan, E. F. & Necefoglu, H. (2007b). Acta Cryst. C63, m243–m245.  Web of Science CSD CrossRef IUCr Journals Google Scholar
First citationSheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.  Google Scholar
First citationSheldrick, G. M. (2008). Acta Cryst. A64, 112–122.  Web of Science CrossRef CAS IUCr Journals Google Scholar
First citationStachova, P., Melnik, M., Korobik, M., Mrozinski, M., Koman, M., Glowiak, T. & Valigura, D. (2006). Inorg. Chim. Acta, 360, 1517–1522.  Web of Science CSD CrossRef Google Scholar
First citationWestrip, S. P. (2009). publCIF. In preparation.  Google Scholar

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