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The title complex, [Ni(C20H26N2O)2]Cl2·1.24H2O, is a mononuclear nickel(II) compound. The NiII atom, lying on an inversion centre, is four-coordinated in a square-planar geometry by two imine N and two phenolate O atoms from two Schiff bases.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680502862X/ci6637sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S160053680502862X/ci6637Isup2.hkl
Contains datablock I

CCDC reference: 287508

Key indicators

  • Single-crystal X-ray study
  • T = 298 K
  • Mean [sigma](C-C) = 0.003 Å
  • Disorder in solvent or counterion
  • R factor = 0.043
  • wR factor = 0.113
  • Data-to-parameter ratio = 18.9

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms .. ? PLAT302_ALERT_4_C Anion/Solvent Disorder ......................... 31.00 Perc.
Alert level G FORMU01_ALERT_1_G There is a discrepancy between the atom counts in the _chemical_formula_sum and _chemical_formula_moiety. This is usually due to the moiety formula being in the wrong format. Atom count from _chemical_formula_sum: C40 H54.48 Cl2 N4 Ni1 O3.24 Atom count from _chemical_formula_moiety:H4 O2
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion

Comment top

Schiff base complexes have been studied extensively, due to their excellent biological activities (Ren et al., 2002; Deschamps et al., 2003; Pal et al., 2003). Nickel(II) complexes are very important in coordination chemistry (Dey et al., 2004; Christensen et al., 1997). The structures of a large number of mono-, di- and polynuclear Schiff base nickel(II) complexes have been reported (Vance et al., 1997; Carbonaro et al., 1999; Rybak-Akimova et al., 1998). In order to investigate the structures of such nickel complexes, the title new nickel(II) complex, (I), is reported here.

Complex (I) is a mononuclear nickel(II) compound, with the NiII atom lying on an inversion centre (Fig. 1). The unit cell contains an [Ni(C20H26N2O)2]2+ cation, two Cl anions and two water molecules, each with site occupancy of 0.62. The NiII atom is four-coordinated in a square-planar geometry by two imine N and two phenolate O atoms from two Schiff bases. All bond angles (Table 1) subtended at the NiII centre are comparable with the values observed in other Schiff base nickel(II) complexes (Gomes et al., 2000; Chakraborty et al., 2004).

In the crystal structure, the molecules are linked through intermolecular O—H···Cl and N—H···Cl hydrogen bonds (Table 2), forming layers parallel to the bc plane (Fig. 2).

Experimental top

N-Cyclohexyl-1,3-diaminopropane (0.1 mmol, 15.6 mg) and 2-hydroxy-1-naphthaldehyde (0.1 mmol, 8.6 mg) were dissolved in MeOH (10 ml). The mixture was stirred at room temperature for 10 min to give a clear yellow solution, to which was added an aqueous solution (5 ml) of NiCl2·4H2O (0.1 mmol, 20.2 mg) with stirring. The mixture was stirred for another 10 min at room temperature and filtered. After keeping the filtrate in air for 9 d, green block crystals of (I) separated. The crystals were isolated, washed three times with MeOH and dried in a vacuum desiccator using anhydrous CaCl2 (yield 51.3%). Analysis, found: C 60.89, H 7.27, N 7.30%; calculated for C40H54.49Cl2N4NiO3.245: C 62.16, H 7.11, N 7.25%.

Refinement top

Attempts to refine the water O atom (O2) with full occupancy resulted in a high Uiso value, and hence it was refined with partial occupancy. The occupancy was initially refined to 0.623 (8) and later fixed at 0.62. Atoms H2C and H2D were located in a difference Fourier map and refined isotropically, with the O—H and H···H distances restrained to 0.84 (1) and 1.37 (2) Å, respectively, and with a fixed Uiso(H) value of 0.08 Å2. All other H atoms were placed in geometrically idealized positions and constrained to ride on their parent atoms, with N—H = 0.90 Å and C—H distances in the range 0.93–0.98 Å, and with Uiso(H) = 1.2–1.5Ueq(C,N).

Computing details top

Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1998); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXTL.

Figures top
[Figure 1] Fig. 1. The structure of (I). Displacement ellipsoids are drawn at the 30% probability level. Unlabelled atoms are at the symmetry position (1 − x, −y, 2 − z).
[Figure 2] Fig. 2. The crystal packing of (I), viewed along the b axis. Dashed lines indicate hydrogen bonds. Only the H atoms involved in hydrogen bonding are shown.
Bis{1-[3-(cyclohexylamino)propyliminomethyl]-2-naphtholato}nickel(II) dichloride 1.24 hydrate top
Crystal data top
[Ni(C20H26N2O)2]Cl2·2(0.62H2O)F(000) = 820.8
Mr = 772.79Dx = 1.299 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 3936 reflections
a = 11.179 (1) Åθ = 2.4–26.8°
b = 7.431 (1) ŵ = 0.67 mm1
c = 23.683 (2) ÅT = 298 K
β = 92.53 (1)°Block, green
V = 1965.5 (4) Å30.20 × 0.13 × 0.12 mm
Z = 2
Data collection top
Bruker SMART CCD area-detector
diffractometer
4490 independent reflections
Radiation source: fine-focus sealed tube3546 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.036
ω scansθmax = 27.5°, θmin = 1.7°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 1414
Tmin = 0.878, Tmax = 0.924k = 99
16272 measured reflectionsl = 2930
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)] = 0.043Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.114H atoms treated by a mixture of independent and constrained refinement
S = 1.02 w = 1/[σ2(Fo2) + (0.0602P)2 + 0.2608P]
where P = (Fo2 + 2Fc2)/3
4490 reflections(Δ/σ)max < 0.001
238 parametersΔρmax = 0.41 e Å3
3 restraintsΔρmin = 0.24 e Å3
Crystal data top
[Ni(C20H26N2O)2]Cl2·2(0.62H2O)V = 1965.5 (4) Å3
Mr = 772.79Z = 2
Monoclinic, P21/cMo Kα radiation
a = 11.179 (1) ŵ = 0.67 mm1
b = 7.431 (1) ÅT = 298 K
c = 23.683 (2) Å0.20 × 0.13 × 0.12 mm
β = 92.53 (1)°
Data collection top
Bruker SMART CCD area-detector
diffractometer
4490 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
3546 reflections with I > 2σ(I)
Tmin = 0.878, Tmax = 0.924Rint = 0.036
16272 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0433 restraints
wR(F2) = 0.114H atoms treated by a mixture of independent and constrained refinement
S = 1.02Δρmax = 0.41 e Å3
4490 reflectionsΔρmin = 0.24 e Å3
238 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.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Ni10.50000.00001.00000.03502 (13)
Cl10.44952 (6)0.58347 (9)0.80533 (2)0.05745 (18)
O10.62800 (14)0.1097 (2)1.03618 (6)0.0501 (4)
O20.3109 (3)0.3483 (5)0.71190 (16)0.0848 (10)0.62
N10.47904 (14)0.1972 (2)0.94845 (6)0.0334 (4)
N20.32943 (14)0.0553 (2)0.76477 (6)0.0357 (4)
H2A0.35640.16310.77710.043*
H2B0.38770.00420.74520.043*
C10.64663 (17)0.3815 (3)0.98392 (8)0.0346 (4)
C20.68353 (18)0.2589 (3)1.02548 (8)0.0416 (5)
C30.7899 (2)0.2956 (3)1.05928 (10)0.0579 (7)
H30.81510.21451.08730.069*
C40.8545 (2)0.4465 (4)1.05112 (10)0.0559 (6)
H40.92390.46611.07340.067*
C50.81959 (19)0.5751 (3)1.00986 (9)0.0443 (5)
C60.8886 (2)0.7322 (3)1.00214 (11)0.0584 (6)
H60.95850.75011.02420.070*
C70.8538 (2)0.8571 (4)0.96283 (12)0.0676 (7)
H70.89930.96030.95810.081*
C80.7500 (3)0.8296 (3)0.92980 (12)0.0650 (7)
H80.72670.91520.90290.078*
C90.6810 (2)0.6793 (3)0.93593 (10)0.0491 (5)
H90.61140.66490.91340.059*
C100.71421 (18)0.5465 (3)0.97579 (9)0.0383 (5)
C110.54373 (17)0.3423 (3)0.94819 (8)0.0346 (4)
H110.52050.43000.92190.042*
C120.38126 (17)0.1942 (3)0.90445 (8)0.0357 (4)
H12A0.36350.31630.89220.043*
H12B0.30970.14460.92020.043*
C130.41495 (17)0.0823 (3)0.85396 (8)0.0377 (4)
H13A0.47830.14160.83430.045*
H13B0.44380.03480.86650.045*
C140.3063 (2)0.0603 (4)0.81479 (9)0.0496 (6)
H14A0.24220.00730.83550.060*
H14B0.27980.17800.80170.060*
C150.22189 (16)0.0842 (3)0.72576 (8)0.0353 (4)
H150.18870.03380.71530.042*
C160.12572 (19)0.1910 (3)0.75417 (9)0.0489 (5)
H16A0.10120.12720.78750.059*
H16B0.15750.30710.76610.059*
C170.0179 (2)0.2179 (4)0.71328 (11)0.0600 (7)
H17A0.04150.29070.73140.072*
H17B0.01800.10200.70430.072*
C180.0523 (2)0.3088 (4)0.65920 (10)0.0611 (7)
H18A0.01720.31680.63330.073*
H18B0.08010.43000.66750.073*
C190.1504 (2)0.2032 (3)0.63174 (9)0.0497 (6)
H19A0.11960.08640.62000.060*
H19B0.17460.26660.59830.060*
C200.25888 (18)0.1776 (3)0.67225 (8)0.0423 (5)
H20A0.29390.29380.68170.051*
H20B0.31880.10590.65420.051*
H2C0.338 (4)0.400 (6)0.7410 (13)0.080*0.62
H2D0.363 (3)0.281 (6)0.6992 (18)0.080*0.62
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ni10.0383 (2)0.0366 (2)0.0298 (2)0.00794 (15)0.00372 (14)0.00060 (14)
Cl10.0630 (4)0.0543 (4)0.0553 (4)0.0185 (3)0.0058 (3)0.0102 (3)
O10.0543 (9)0.0500 (9)0.0443 (8)0.0206 (7)0.0164 (7)0.0111 (7)
O20.098 (3)0.066 (2)0.088 (3)0.0054 (19)0.017 (2)0.0037 (18)
N10.0356 (8)0.0374 (9)0.0269 (8)0.0038 (7)0.0020 (6)0.0026 (6)
N20.0351 (9)0.0387 (9)0.0326 (8)0.0007 (7)0.0047 (7)0.0011 (7)
C10.0367 (10)0.0369 (10)0.0303 (9)0.0044 (8)0.0038 (8)0.0043 (8)
C20.0440 (12)0.0435 (12)0.0368 (11)0.0096 (9)0.0037 (9)0.0029 (9)
C30.0579 (14)0.0588 (15)0.0549 (14)0.0182 (12)0.0195 (11)0.0134 (12)
C40.0486 (13)0.0621 (15)0.0555 (14)0.0198 (12)0.0151 (11)0.0021 (12)
C50.0453 (12)0.0433 (12)0.0446 (12)0.0115 (10)0.0040 (9)0.0073 (10)
C60.0524 (14)0.0572 (15)0.0651 (16)0.0205 (12)0.0025 (12)0.0036 (13)
C70.0692 (17)0.0514 (15)0.0820 (19)0.0274 (13)0.0008 (14)0.0079 (14)
C80.0778 (18)0.0480 (14)0.0682 (17)0.0181 (13)0.0061 (14)0.0110 (13)
C90.0540 (13)0.0439 (12)0.0492 (13)0.0083 (10)0.0007 (10)0.0022 (10)
C100.0392 (11)0.0378 (11)0.0383 (11)0.0054 (8)0.0069 (9)0.0071 (8)
C110.0415 (11)0.0334 (10)0.0291 (9)0.0007 (8)0.0041 (8)0.0019 (8)
C120.0363 (10)0.0361 (10)0.0343 (10)0.0003 (8)0.0032 (8)0.0004 (8)
C130.0336 (10)0.0476 (12)0.0313 (10)0.0010 (9)0.0041 (8)0.0012 (9)
C140.0453 (13)0.0633 (15)0.0392 (12)0.0084 (11)0.0108 (9)0.0153 (11)
C150.0321 (10)0.0414 (11)0.0318 (10)0.0005 (8)0.0064 (8)0.0013 (8)
C160.0457 (12)0.0621 (15)0.0387 (11)0.0106 (11)0.0013 (9)0.0028 (10)
C170.0408 (13)0.0804 (19)0.0591 (15)0.0184 (12)0.0045 (11)0.0073 (13)
C180.0541 (14)0.0765 (18)0.0519 (14)0.0234 (13)0.0067 (11)0.0104 (13)
C190.0482 (13)0.0629 (15)0.0374 (11)0.0126 (11)0.0047 (9)0.0063 (10)
C200.0406 (11)0.0508 (13)0.0353 (11)0.0037 (9)0.0001 (9)0.0048 (9)
Geometric parameters (Å, º) top
Ni1—O11.827 (2)C9—C101.404 (3)
Ni1—O1i1.827 (2)C9—H90.93
Ni1—N11.915 (2)C11—H110.93
Ni1—N1i1.915 (2)C12—C131.518 (3)
O1—C21.301 (2)C12—H12A0.97
O2—H2C0.83 (1)C12—H12B0.97
O2—H2D0.84 (1)C13—C141.504 (3)
N1—C111.299 (2)C13—H13A0.97
N1—C121.477 (2)C13—H13B0.97
N2—C141.495 (3)C14—H14A0.97
N2—C151.499 (2)C14—H14B0.97
N2—H2A0.90C15—C161.517 (3)
N2—H2B0.90C15—C201.518 (3)
C1—C21.391 (3)C15—H150.98
C1—C111.428 (3)C16—C171.526 (3)
C1—C101.457 (3)C16—H16A0.97
C2—C31.431 (3)C16—H16B0.97
C3—C41.352 (3)C17—C181.512 (3)
C3—H30.93C17—H17A0.97
C4—C51.409 (3)C17—H17B0.97
C4—H40.93C18—C191.518 (3)
C5—C101.414 (3)C18—H18A0.97
C5—C61.416 (3)C18—H18B0.97
C6—C71.359 (4)C19—C201.525 (3)
C6—H60.93C19—H19A0.97
C7—C81.386 (4)C19—H19B0.97
C7—H70.93C20—H20A0.97
C8—C91.369 (3)C20—H20B0.97
C8—H80.93
O1—Ni1—O1i180C13—C12—H12A109.4
O1—Ni1—N191.66 (7)N1—C12—H12B109.4
O1i—Ni1—N188.34 (7)C13—C12—H12B109.4
O1—Ni1—N1i88.34 (7)H12A—C12—H12B108.0
O1i—Ni1—N1i91.66 (7)C14—C13—C12108.90 (16)
N1—Ni1—N1i180C14—C13—H13A109.9
C2—O1—Ni1131.26 (13)C12—C13—H13A109.9
H2C—O2—H2D110 (2)C14—C13—H13B109.9
C11—N1—C12113.83 (16)C12—C13—H13B109.9
C11—N1—Ni1125.87 (13)H13A—C13—H13B108.3
C12—N1—Ni1120.29 (12)N2—C14—C13112.85 (17)
C14—N2—C15114.14 (15)N2—C14—H14A109.0
C14—N2—H2A108.7C13—C14—H14A109.0
C15—N2—H2A108.7N2—C14—H14B109.0
C14—N2—H2B108.7C13—C14—H14B109.0
C15—N2—H2B108.7H14A—C14—H14B107.8
H2A—N2—H2B107.6N2—C15—C16111.49 (16)
C2—C1—C11119.44 (18)N2—C15—C20109.84 (16)
C2—C1—C10120.37 (18)C16—C15—C20110.83 (17)
C11—C1—C10120.17 (18)N2—C15—H15108.2
O1—C2—C1124.55 (18)C16—C15—H15108.2
O1—C2—C3116.47 (19)C20—C15—H15108.2
C1—C2—C3118.97 (19)C15—C16—C17110.03 (18)
C4—C3—C2120.9 (2)C15—C16—H16A109.7
C4—C3—H3119.5C17—C16—H16A109.7
C2—C3—H3119.5C15—C16—H16B109.7
C3—C4—C5121.9 (2)C17—C16—H16B109.7
C3—C4—H4119.0H16A—C16—H16B108.2
C5—C4—H4119.0C18—C17—C16111.9 (2)
C4—C5—C10119.4 (2)C18—C17—H17A109.2
C4—C5—C6120.9 (2)C16—C17—H17A109.2
C10—C5—C6119.7 (2)C18—C17—H17B109.2
C7—C6—C5120.7 (2)C16—C17—H17B109.2
C7—C6—H6119.7H17A—C17—H17B107.9
C5—C6—H6119.7C17—C18—C19110.4 (2)
C6—C7—C8119.6 (2)C17—C18—H18A109.6
C6—C7—H7120.2C19—C18—H18A109.6
C8—C7—H7120.2C17—C18—H18B109.6
C9—C8—C7121.5 (2)C19—C18—H18B109.6
C9—C8—H8119.3H18A—C18—H18B108.1
C7—C8—H8119.3C18—C19—C20111.38 (19)
C8—C9—C10120.8 (2)C18—C19—H19A109.4
C8—C9—H9119.6C20—C19—H19A109.4
C10—C9—H9119.6C18—C19—H19B109.4
C9—C10—C5117.8 (2)C20—C19—H19B109.4
C9—C10—C1123.84 (19)H19A—C19—H19B108.0
C5—C10—C1118.4 (2)C15—C20—C19110.11 (17)
N1—C11—C1126.96 (18)C15—C20—H20A109.6
N1—C11—H11116.5C19—C20—H20A109.6
C1—C11—H11116.5C15—C20—H20B109.6
N1—C12—C13111.25 (15)C19—C20—H20B109.6
N1—C12—H12A109.4H20A—C20—H20B108.2
N1i—Ni1—O1—C2175.6 (2)C4—C5—C10—C11.4 (3)
O1—Ni1—N1—C110.40 (16)C6—C5—C10—C1178.6 (2)
O1i—Ni1—N1—C11179.60 (16)C2—C1—C10—C9178.1 (2)
O1—Ni1—N1—C12179.45 (14)C11—C1—C10—C93.6 (3)
O1i—Ni1—N1—C120.55 (14)C2—C1—C10—C52.0 (3)
Ni1—O1—C2—C16.4 (3)C11—C1—C10—C5176.29 (18)
Ni1—O1—C2—C3173.31 (17)C12—N1—C11—C1177.51 (17)
C11—C1—C2—O12.6 (3)Ni1—N1—C11—C13.4 (3)
C10—C1—C2—O1179.08 (19)C2—C1—C11—N12.3 (3)
C11—C1—C2—C3177.1 (2)C10—C1—C11—N1176.01 (18)
C10—C1—C2—C31.2 (3)C11—N1—C12—C13100.0 (2)
O1—C2—C3—C4179.5 (2)Ni1—N1—C12—C1380.89 (18)
C1—C2—C3—C40.2 (4)N1—C12—C13—C14171.35 (18)
C2—C3—C4—C50.9 (4)C15—N2—C14—C13178.32 (18)
C3—C4—C5—C100.0 (4)C12—C13—C14—N2177.53 (18)
C3—C4—C5—C6180.0 (3)C14—N2—C15—C1665.6 (2)
C4—C5—C6—C7179.1 (3)C14—N2—C15—C20171.20 (19)
C10—C5—C6—C70.9 (4)N2—C15—C16—C17179.95 (19)
C5—C6—C7—C80.4 (4)C20—C15—C16—C1757.3 (2)
C6—C7—C8—C90.2 (4)C15—C16—C17—C1856.5 (3)
C7—C8—C9—C100.6 (4)C16—C17—C18—C1955.6 (3)
C8—C9—C10—C51.1 (3)C17—C18—C19—C2055.8 (3)
C8—C9—C10—C1178.8 (2)N2—C15—C20—C19178.59 (18)
C4—C5—C10—C9178.7 (2)C16—C15—C20—C1957.8 (2)
C6—C5—C10—C91.3 (3)C18—C19—C20—C1557.1 (3)
Symmetry code: (i) x+1, y, z+2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N2—H2A···Cl1ii0.902.243.133 (2)172
N2—H2B···Cl1iii0.902.323.208 (2)171
O2—H2C···Cl10.83 (1)2.36 (2)3.170 (4)164 (5)
O2—H2D···Cl1iii0.84 (1)2.56 (2)3.362 (4)161 (4)
Symmetry codes: (ii) x, y1, z; (iii) x+1, y1/2, z+3/2.

Experimental details

Crystal data
Chemical formula[Ni(C20H26N2O)2]Cl2·2(0.62H2O)
Mr772.79
Crystal system, space groupMonoclinic, P21/c
Temperature (K)298
a, b, c (Å)11.179 (1), 7.431 (1), 23.683 (2)
β (°) 92.53 (1)
V3)1965.5 (4)
Z2
Radiation typeMo Kα
µ (mm1)0.67
Crystal size (mm)0.20 × 0.13 × 0.12
Data collection
DiffractometerBruker SMART CCD area-detector
diffractometer
Absorption correctionMulti-scan
(SADABS; Sheldrick, 1996)
Tmin, Tmax0.878, 0.924
No. of measured, independent and
observed [I > 2σ(I)] reflections
16272, 4490, 3546
Rint0.036
(sin θ/λ)max1)0.650
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.043, 0.114, 1.02
No. of reflections4490
No. of parameters238
No. of restraints3
H-atom treatmentH atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å3)0.41, 0.24

Computer programs: SMART (Bruker, 1998), SAINT (Bruker, 1998), SAINT, SHELXS97 (Sheldrick, 1997a), SHELXL97 (Sheldrick, 1997a), SHELXTL (Sheldrick, 1997b), SHELXTL.

Selected geometric parameters (Å, º) top
Ni1—O11.827 (2)Ni1—N11.915 (2)
O1—Ni1—O1i180O1—Ni1—N1i88.34 (7)
O1—Ni1—N191.66 (7)N1—Ni1—N1i180
Symmetry code: (i) x+1, y, z+2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N2—H2A···Cl1ii0.902.243.133 (2)172
N2—H2B···Cl1iii0.902.323.208 (2)171
O2—H2C···Cl10.83 (1)2.36 (2)3.170 (4)164 (5)
O2—H2D···Cl1iii0.84 (1)2.56 (2)3.362 (4)161 (4)
Symmetry codes: (ii) x, y1, z; (iii) x+1, y1/2, z+3/2.
 

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