Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807031613/hk2283sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536807031613/hk2283Isup2.hkl |
CCDC reference: 1301036
Crystals of the title compound were synthesized using hydrothermal method in a 23 ml Teflon-lined Parr bomb. Nickel dinitrate hexahydrate (58.1 mg, 0.2 mmol), 2,2'-bipyridyl (62.4 mg, 0.4 mmol), potassium thiocyanate (38.9 mg, 0.4 mmol) and distilled water (2.6 g) were placed into the bomb and sealed. The bomb was then heated under autogenous pressure up to 423 K over the course of 7 d and allowed to cool at room temperature for 24 h. Upon opening the bomb, a clear colorless solution was decanted from small green crystals, which were washed with distilled water followed by ethanol, and allowed to air-dry at room temperature.
H atoms were positioned geometrically, with C—H = 0.93 Å for aromatic H atoms, and constrained to ride on their parent atoms, with Uiso(H) = 1.2Ueq(C).
Research on organic-inorganic hybrid materials has attracted much attention owing to their applications in areas including catalysis, materials chemistry and biochemistry (Hill, 1998; Banglin et al., 2001; Ferey, 2001). In these compounds, the weak interactions play an important role and many frameworks are linked by different kinds of weak interactions, such as hydrogen bonds and π-π stacking. Several reported crystal structures of metal complexes incorporating the phenanthroline, quinoline and pyridyl ligands have shown the existence of π-π stacking between neighbouring aromatic rings (Wu et al., 2003; Pan & Xu, 2004; Liu et al., 2004; Li et al., 2005). We report herein the crystal structure of the title compound, (I).
In the molecule of (I) (Fig. 1), the ligand bond lengths and angles are within normal ranges (Allen et al., 1987). The six-coordinate environment of the Ni atom is completed by the four N atoms of two 2,2'-bipyridyl ligands and the two N atoms of two SCN- ligands (Table 1). The Ni—N bonds [average 2.1651 (16) Å] of the 2,2'-bipyridyl ligands are somewhat longer than the Ni—N bonds [average 2.0759 (19) Å] of the SCN- ligands. The two 2,2'-bipyridyl ligands are nearly perpendicular to each other, with a dihedral angle of 106.6 (3) °.
In the crystal structure, intramolecular C—H···N hydrogen bonds (Table 2) and π-π stacking interactions with centroid-centroid distance of 3.545 (2) Å [symmetry code: 1 - x, 2 - y, 2 - z] lead to a supramolecular network structure (Fig. 2), in which they may be effective in the stabilization of the structure.
For bond-length data, see: Allen et al. (1987). For general background, see: Hill (1998); Banglin et al. (2001); Ferey (2001). For related structures, see: Li et al. (2005); Liu et al. (2004); Pan & Xu (2004); Wu et al. (2003).
Data collection: SMART (Siemens, 1996); cell refinement: SAINT (Siemens, 1996); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Siemens, 1996); software used to prepare material for publication: SHELXTL.
[Ni(NCS)2(C10H8N2)2] | F(000) = 2000 |
Mr = 487.24 | Dx = 1.476 Mg m−3 |
Orthorhombic, Pbca | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ac 2ab | Cell parameters from 11589 reflections |
a = 16.0102 (13) Å | θ = 2.4–27.5° |
b = 16.0984 (11) Å | µ = 1.10 mm−1 |
c = 17.0174 (12) Å | T = 273 K |
V = 4386.0 (6) Å3 | Block, green |
Z = 8 | 0.36 × 0.34 × 0.22 mm |
Bruker SMART CCD area-detector diffractometer | 5039 independent reflections |
Radiation source: fine-focus sealed tube | 3614 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.024 |
φ and ω scans | θmax = 27.5°, θmin = 2.2° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −20→20 |
Tmin = 0.694, Tmax = 0.794 | k = −20→20 |
30152 measured reflections | l = −21→22 |
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)] = 0.036 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.118 | H-atom parameters constrained |
S = 1.10 | w = 1/[σ2(Fo2) + (0.0679P)2 + 0.3898P] where P = (Fo2 + 2Fc2)/3 |
5039 reflections | (Δ/σ)max = 0.001 |
280 parameters | Δρmax = 0.32 e Å−3 |
0 restraints | Δρmin = −0.51 e Å−3 |
[Ni(NCS)2(C10H8N2)2] | V = 4386.0 (6) Å3 |
Mr = 487.24 | Z = 8 |
Orthorhombic, Pbca | Mo Kα radiation |
a = 16.0102 (13) Å | µ = 1.10 mm−1 |
b = 16.0984 (11) Å | T = 273 K |
c = 17.0174 (12) Å | 0.36 × 0.34 × 0.22 mm |
Bruker SMART CCD area-detector diffractometer | 5039 independent reflections |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | 3614 reflections with I > 2σ(I) |
Tmin = 0.694, Tmax = 0.794 | Rint = 0.024 |
30152 measured reflections |
R[F2 > 2σ(F2)] = 0.036 | 0 restraints |
wR(F2) = 0.118 | H-atom parameters constrained |
S = 1.10 | Δρmax = 0.32 e Å−3 |
5039 reflections | Δρmin = −0.51 e Å−3 |
280 parameters |
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. |
x | y | z | Uiso*/Ueq | ||
Ni1 | 0.702212 (16) | 0.384009 (16) | −0.000719 (13) | 0.04797 (12) | |
S1 | 0.57513 (4) | 0.51146 (5) | −0.22508 (4) | 0.0842 (2) | |
S2 | 0.51119 (4) | 0.22568 (4) | 0.15951 (4) | 0.0756 (2) | |
N1 | 0.80971 (10) | 0.46105 (10) | −0.02959 (11) | 0.0495 (4) | |
N2 | 0.69885 (10) | 0.48312 (10) | 0.08364 (10) | 0.0498 (4) | |
N3 | 0.79907 (9) | 0.30916 (11) | 0.05468 (10) | 0.0500 (4) | |
N4 | 0.72286 (9) | 0.28368 (10) | −0.08246 (10) | 0.0473 (4) | |
N5 | 0.62907 (12) | 0.44608 (12) | −0.08258 (12) | 0.0662 (5) | |
N6 | 0.60965 (11) | 0.31797 (11) | 0.05750 (12) | 0.0619 (5) | |
C1 | 0.86338 (14) | 0.44568 (16) | −0.08803 (13) | 0.0654 (6) | |
H1 | 0.8548 | 0.3988 | −0.1190 | 0.079* | |
C2 | 0.93063 (15) | 0.49596 (19) | −0.10447 (16) | 0.0810 (8) | |
H2 | 0.9668 | 0.4838 | −0.1457 | 0.097* | |
C3 | 0.94256 (16) | 0.56431 (19) | −0.05819 (17) | 0.0830 (8) | |
H3 | 0.9871 | 0.5998 | −0.0682 | 0.100* | |
C4 | 0.88892 (16) | 0.58087 (17) | 0.00317 (14) | 0.0696 (7) | |
H4 | 0.8967 | 0.6274 | 0.0348 | 0.084* | |
C5 | 0.82307 (13) | 0.52683 (13) | 0.01687 (12) | 0.0506 (5) | |
C6 | 0.76299 (12) | 0.53798 (12) | 0.08205 (11) | 0.0486 (4) | |
C7 | 0.77050 (14) | 0.59940 (15) | 0.13895 (14) | 0.0652 (6) | |
H7 | 0.8158 | 0.6355 | 0.1381 | 0.078* | |
C8 | 0.71137 (17) | 0.60660 (17) | 0.19598 (16) | 0.0772 (7) | |
H8 | 0.7166 | 0.6469 | 0.2349 | 0.093* | |
C9 | 0.64366 (16) | 0.55381 (17) | 0.19570 (14) | 0.0743 (7) | |
H9 | 0.6012 | 0.5595 | 0.2326 | 0.089* | |
C10 | 0.64028 (14) | 0.49210 (14) | 0.13906 (13) | 0.0605 (5) | |
H10 | 0.5954 | 0.4554 | 0.1396 | 0.073* | |
C11 | 0.83799 (14) | 0.32765 (14) | 0.12267 (14) | 0.0631 (6) | |
H11 | 0.8170 | 0.3710 | 0.1529 | 0.076* | |
C12 | 0.90692 (16) | 0.28591 (17) | 0.14972 (17) | 0.0779 (8) | |
H12 | 0.9317 | 0.3000 | 0.1973 | 0.094* | |
C13 | 0.93839 (15) | 0.22212 (19) | 0.1039 (2) | 0.0868 (9) | |
H13 | 0.9856 | 0.1932 | 0.1201 | 0.104* | |
C14 | 0.89961 (14) | 0.20155 (16) | 0.03410 (17) | 0.0719 (6) | |
H14 | 0.9202 | 0.1589 | 0.0028 | 0.086* | |
C15 | 0.82889 (12) | 0.24608 (14) | 0.01151 (12) | 0.0515 (5) | |
C16 | 0.78147 (12) | 0.22711 (13) | −0.06159 (13) | 0.0509 (5) | |
C17 | 0.79434 (15) | 0.15613 (15) | −0.10571 (16) | 0.0689 (6) | |
H17 | 0.8355 | 0.1183 | −0.0912 | 0.083* | |
C18 | 0.74600 (18) | 0.14168 (16) | −0.17122 (15) | 0.0746 (7) | |
H18 | 0.7536 | 0.0937 | −0.2008 | 0.090* | |
C19 | 0.68645 (16) | 0.19883 (15) | −0.19249 (15) | 0.0686 (6) | |
H19 | 0.6532 | 0.1904 | −0.2366 | 0.082* | |
C20 | 0.67725 (13) | 0.26879 (13) | −0.14703 (13) | 0.0567 (5) | |
H20 | 0.6374 | 0.3078 | −0.1618 | 0.068* | |
C21 | 0.60599 (12) | 0.47320 (12) | −0.14206 (14) | 0.0545 (5) | |
C22 | 0.56815 (12) | 0.28038 (12) | 0.09993 (13) | 0.0494 (5) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ni1 | 0.04780 (18) | 0.04729 (18) | 0.04881 (19) | −0.00326 (10) | 0.00050 (10) | −0.00120 (10) |
S1 | 0.0759 (4) | 0.1050 (5) | 0.0717 (4) | −0.0098 (4) | −0.0239 (3) | 0.0130 (4) |
S2 | 0.0815 (4) | 0.0711 (4) | 0.0743 (4) | −0.0120 (3) | 0.0259 (3) | 0.0008 (3) |
N1 | 0.0514 (9) | 0.0516 (9) | 0.0456 (9) | −0.0072 (7) | 0.0029 (7) | 0.0013 (8) |
N2 | 0.0504 (9) | 0.0496 (9) | 0.0493 (10) | −0.0036 (7) | 0.0015 (7) | −0.0037 (7) |
N3 | 0.0473 (9) | 0.0546 (9) | 0.0481 (10) | −0.0048 (7) | −0.0018 (7) | 0.0055 (8) |
N4 | 0.0474 (8) | 0.0463 (9) | 0.0482 (9) | −0.0014 (7) | 0.0015 (7) | −0.0017 (7) |
N5 | 0.0733 (12) | 0.0538 (10) | 0.0715 (13) | 0.0028 (9) | −0.0177 (10) | 0.0021 (9) |
N6 | 0.0558 (10) | 0.0572 (10) | 0.0727 (12) | −0.0070 (8) | 0.0094 (9) | −0.0042 (9) |
C1 | 0.0663 (13) | 0.0757 (15) | 0.0543 (13) | −0.0139 (12) | 0.0118 (11) | −0.0050 (11) |
C2 | 0.0689 (15) | 0.110 (2) | 0.0638 (16) | −0.0237 (14) | 0.0215 (12) | −0.0019 (15) |
C3 | 0.0689 (15) | 0.0935 (19) | 0.0866 (19) | −0.0332 (14) | 0.0114 (14) | 0.0049 (16) |
C4 | 0.0627 (14) | 0.0670 (15) | 0.0791 (18) | −0.0207 (12) | 0.0004 (11) | −0.0055 (11) |
C5 | 0.0477 (10) | 0.0504 (11) | 0.0536 (12) | −0.0043 (9) | −0.0057 (9) | 0.0040 (9) |
C6 | 0.0486 (10) | 0.0480 (10) | 0.0492 (11) | −0.0004 (8) | −0.0082 (8) | −0.0006 (8) |
C7 | 0.0643 (13) | 0.0661 (14) | 0.0652 (15) | −0.0088 (11) | −0.0090 (12) | −0.0127 (11) |
C8 | 0.0881 (18) | 0.0819 (18) | 0.0617 (15) | −0.0029 (14) | −0.0027 (13) | −0.0278 (13) |
C9 | 0.0799 (16) | 0.0848 (17) | 0.0582 (14) | −0.0018 (14) | 0.0124 (12) | −0.0173 (12) |
C10 | 0.0634 (12) | 0.0616 (13) | 0.0564 (13) | −0.0046 (10) | 0.0100 (11) | −0.0068 (10) |
C11 | 0.0684 (13) | 0.0642 (13) | 0.0566 (13) | −0.0090 (11) | −0.0101 (11) | 0.0089 (10) |
C12 | 0.0703 (15) | 0.0849 (18) | 0.0786 (18) | −0.0146 (13) | −0.0255 (14) | 0.0180 (14) |
C13 | 0.0535 (13) | 0.098 (2) | 0.109 (2) | 0.0039 (13) | −0.0211 (15) | 0.0288 (18) |
C14 | 0.0511 (12) | 0.0748 (15) | 0.0897 (18) | 0.0103 (11) | 0.0039 (13) | 0.0152 (14) |
C15 | 0.0411 (9) | 0.0539 (11) | 0.0595 (13) | −0.0015 (9) | 0.0064 (9) | 0.0102 (9) |
C16 | 0.0494 (10) | 0.0517 (11) | 0.0517 (12) | −0.0005 (8) | 0.0100 (9) | 0.0006 (9) |
C17 | 0.0748 (15) | 0.0573 (13) | 0.0745 (16) | 0.0133 (11) | 0.0093 (12) | −0.0065 (12) |
C18 | 0.0915 (18) | 0.0632 (14) | 0.0691 (17) | 0.0058 (14) | 0.0127 (14) | −0.0175 (12) |
C19 | 0.0807 (16) | 0.0696 (15) | 0.0554 (14) | −0.0094 (12) | 0.0005 (12) | −0.0132 (11) |
C20 | 0.0575 (11) | 0.0578 (12) | 0.0550 (13) | −0.0037 (10) | −0.0014 (10) | −0.0036 (9) |
C21 | 0.0470 (10) | 0.0474 (11) | 0.0693 (14) | 0.0011 (8) | −0.0079 (10) | −0.0099 (10) |
C22 | 0.0445 (9) | 0.0467 (10) | 0.0570 (12) | 0.0003 (8) | 0.0028 (9) | −0.0091 (9) |
Ni1—N1 | 2.1776 (16) | C5—C6 | 1.479 (3) |
Ni1—N2 | 2.1469 (17) | C6—C7 | 1.389 (3) |
Ni1—N3 | 2.1784 (16) | C7—C8 | 1.361 (3) |
Ni1—N4 | 2.1571 (16) | C7—H7 | 0.9300 |
Ni1—N5 | 2.0762 (19) | C8—C9 | 1.377 (4) |
Ni1—N6 | 2.0756 (19) | C8—H8 | 0.9300 |
S1—C21 | 1.618 (2) | C9—C10 | 1.385 (3) |
S2—C22 | 1.623 (2) | C9—H9 | 0.9300 |
N1—C1 | 1.337 (3) | C10—H10 | 0.9300 |
N1—C5 | 1.339 (3) | C11—C12 | 1.372 (3) |
N2—C10 | 1.338 (3) | C11—H11 | 0.9300 |
N2—C6 | 1.355 (2) | C12—C13 | 1.384 (4) |
N3—C15 | 1.341 (3) | C12—H12 | 0.9300 |
N3—C11 | 1.348 (3) | C13—C14 | 1.381 (4) |
N4—C20 | 1.341 (3) | C13—H13 | 0.9300 |
N4—C16 | 1.355 (3) | C14—C15 | 1.394 (3) |
N5—C21 | 1.163 (3) | C14—H14 | 0.9300 |
N6—C22 | 1.153 (3) | C15—C16 | 1.489 (3) |
C1—C2 | 1.376 (3) | C16—C17 | 1.383 (3) |
C1—H1 | 0.9300 | C17—C18 | 1.377 (4) |
C2—C3 | 1.367 (4) | C17—H17 | 0.9300 |
C2—H2 | 0.9300 | C18—C19 | 1.373 (4) |
C3—C4 | 1.378 (3) | C18—H18 | 0.9300 |
C3—H3 | 0.9300 | C19—C20 | 1.374 (3) |
C4—C5 | 1.387 (3) | C19—H19 | 0.9300 |
C4—H4 | 0.9300 | C20—H20 | 0.9300 |
N1—Ni1—N2 | 75.37 (6) | C7—C6—C5 | 123.56 (19) |
N1—Ni1—N3 | 81.38 (6) | C8—C7—C6 | 119.8 (2) |
N1—Ni1—N4 | 99.20 (6) | C8—C7—H7 | 120.1 |
N1—Ni1—N5 | 91.16 (7) | C6—C7—H7 | 120.1 |
N1—Ni1—N6 | 164.53 (7) | C7—C8—C9 | 119.5 (2) |
N2—Ni1—N3 | 98.02 (6) | C7—C8—H8 | 120.3 |
N2—Ni1—N4 | 172.52 (6) | C9—C8—H8 | 120.3 |
N2—Ni1—N5 | 94.41 (7) | C8—C9—C10 | 118.4 (2) |
N2—Ni1—N6 | 92.50 (7) | C8—C9—H9 | 120.8 |
N3—Ni1—N4 | 75.87 (6) | C10—C9—H9 | 120.8 |
N3—Ni1—N5 | 163.36 (7) | N2—C10—C9 | 122.7 (2) |
N3—Ni1—N6 | 91.05 (7) | N2—C10—H10 | 118.6 |
N4—Ni1—N5 | 90.81 (7) | C9—C10—H10 | 118.6 |
N4—Ni1—N6 | 91.93 (7) | N3—C11—C12 | 123.5 (2) |
N5—Ni1—N6 | 99.45 (8) | N3—C11—H11 | 118.2 |
C1—N1—C5 | 118.88 (18) | C12—C11—H11 | 118.2 |
C1—N1—Ni1 | 124.76 (14) | C11—C12—C13 | 117.9 (2) |
C5—N1—Ni1 | 116.33 (14) | C11—C12—H12 | 121.1 |
C10—N2—C6 | 118.35 (18) | C13—C12—H12 | 121.1 |
C10—N2—Ni1 | 124.71 (14) | C14—C13—C12 | 119.9 (2) |
C6—N2—Ni1 | 116.88 (13) | C14—C13—H13 | 120.0 |
C15—N3—C11 | 118.23 (18) | C12—C13—H13 | 120.0 |
C15—N3—Ni1 | 115.80 (14) | C13—C14—C15 | 118.6 (3) |
C11—N3—Ni1 | 125.35 (15) | C13—C14—H14 | 120.7 |
C20—N4—C16 | 118.14 (18) | C15—C14—H14 | 120.7 |
C20—N4—Ni1 | 125.37 (14) | N3—C15—C14 | 121.8 (2) |
C16—N4—Ni1 | 116.13 (13) | N3—C15—C16 | 115.56 (18) |
C21—N5—Ni1 | 160.77 (19) | C14—C15—C16 | 122.6 (2) |
C22—N6—Ni1 | 168.34 (19) | N4—C16—C17 | 121.1 (2) |
N1—C1—C2 | 123.0 (2) | N4—C16—C15 | 115.73 (18) |
N1—C1—H1 | 118.5 | C17—C16—C15 | 123.2 (2) |
C2—C1—H1 | 118.5 | C18—C17—C16 | 119.7 (2) |
C3—C2—C1 | 117.8 (2) | C18—C17—H17 | 120.2 |
C3—C2—H2 | 121.1 | C16—C17—H17 | 120.2 |
C1—C2—H2 | 121.1 | C19—C18—C17 | 119.4 (2) |
C2—C3—C4 | 120.4 (2) | C19—C18—H18 | 120.3 |
C2—C3—H3 | 119.8 | C17—C18—H18 | 120.3 |
C4—C3—H3 | 119.8 | C18—C19—C20 | 118.4 (2) |
C3—C4—C5 | 118.7 (2) | C18—C19—H19 | 120.8 |
C3—C4—H4 | 120.7 | C20—C19—H19 | 120.8 |
C5—C4—H4 | 120.7 | N4—C20—C19 | 123.3 (2) |
N1—C5—C4 | 121.2 (2) | N4—C20—H20 | 118.3 |
N1—C5—C6 | 115.79 (17) | C19—C20—H20 | 118.3 |
C4—C5—C6 | 123.0 (2) | N5—C21—S1 | 179.2 (2) |
N2—C6—C7 | 121.04 (19) | N6—C22—S2 | 178.68 (19) |
N2—C6—C5 | 115.39 (17) |
Experimental details
Crystal data | |
Chemical formula | [Ni(NCS)2(C10H8N2)2] |
Mr | 487.24 |
Crystal system, space group | Orthorhombic, Pbca |
Temperature (K) | 273 |
a, b, c (Å) | 16.0102 (13), 16.0984 (11), 17.0174 (12) |
V (Å3) | 4386.0 (6) |
Z | 8 |
Radiation type | Mo Kα |
µ (mm−1) | 1.10 |
Crystal size (mm) | 0.36 × 0.34 × 0.22 |
Data collection | |
Diffractometer | Bruker SMART CCD area-detector |
Absorption correction | Multi-scan (SADABS; Sheldrick, 1996) |
Tmin, Tmax | 0.694, 0.794 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 30152, 5039, 3614 |
Rint | 0.024 |
(sin θ/λ)max (Å−1) | 0.650 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.036, 0.118, 1.10 |
No. of reflections | 5039 |
No. of parameters | 280 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.32, −0.51 |
Computer programs: SMART (Siemens, 1996), SAINT (Siemens, 1996), SAINT, SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), SHELXTL (Siemens, 1996), SHELXTL.
Ni1—N1 | 2.1776 (16) | Ni1—N4 | 2.1571 (16) |
Ni1—N2 | 2.1469 (17) | Ni1—N5 | 2.0762 (19) |
Ni1—N3 | 2.1784 (16) | Ni1—N6 | 2.0756 (19) |
N1—Ni1—N2 | 75.37 (6) | N2—Ni1—N6 | 92.50 (7) |
N1—Ni1—N3 | 81.38 (6) | N3—Ni1—N4 | 75.87 (6) |
N1—Ni1—N4 | 99.20 (6) | N3—Ni1—N5 | 163.36 (7) |
N1—Ni1—N5 | 91.16 (7) | N3—Ni1—N6 | 91.05 (7) |
N1—Ni1—N6 | 164.53 (7) | N4—Ni1—N5 | 90.81 (7) |
N2—Ni1—N3 | 98.02 (6) | N4—Ni1—N6 | 91.93 (7) |
N2—Ni1—N4 | 172.52 (6) | N5—Ni1—N6 | 99.45 (8) |
N2—Ni1—N5 | 94.41 (7) |
Research on organic-inorganic hybrid materials has attracted much attention owing to their applications in areas including catalysis, materials chemistry and biochemistry (Hill, 1998; Banglin et al., 2001; Ferey, 2001). In these compounds, the weak interactions play an important role and many frameworks are linked by different kinds of weak interactions, such as hydrogen bonds and π-π stacking. Several reported crystal structures of metal complexes incorporating the phenanthroline, quinoline and pyridyl ligands have shown the existence of π-π stacking between neighbouring aromatic rings (Wu et al., 2003; Pan & Xu, 2004; Liu et al., 2004; Li et al., 2005). We report herein the crystal structure of the title compound, (I).
In the molecule of (I) (Fig. 1), the ligand bond lengths and angles are within normal ranges (Allen et al., 1987). The six-coordinate environment of the Ni atom is completed by the four N atoms of two 2,2'-bipyridyl ligands and the two N atoms of two SCN- ligands (Table 1). The Ni—N bonds [average 2.1651 (16) Å] of the 2,2'-bipyridyl ligands are somewhat longer than the Ni—N bonds [average 2.0759 (19) Å] of the SCN- ligands. The two 2,2'-bipyridyl ligands are nearly perpendicular to each other, with a dihedral angle of 106.6 (3) °.
In the crystal structure, intramolecular C—H···N hydrogen bonds (Table 2) and π-π stacking interactions with centroid-centroid distance of 3.545 (2) Å [symmetry code: 1 - x, 2 - y, 2 - z] lead to a supramolecular network structure (Fig. 2), in which they may be effective in the stabilization of the structure.