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The structure of the title compound,
cis-[PtCl
2(C
2H
5N
5)
2], was analysed using in-house X-ray powder diffraction data at room temperature. The structure was solved by direct methods and refined using Rietveld analysis. A slightly distorted square-planar coordination geometry is formed around the Pt atom by two Cl atoms and two ring N atoms of the 2-methyl-2
H-tetrazol-5-amine ligands, which are in a
cis configuration. The planes of the tetrazole rings are inclined at 79.7 (7) and 73.8 (6)° with respect to the coordination plane, with their substituents oriented in such a way that the complex as a whole has approximate
C2 symmetry. Intermolecular N—H
Cl hydrogen bonds mediate the formation of a three-dimensional supramolecular network.
Supporting information
CCDC reference: 833406
Data collection: local program; cell refinement: FULLPROF (Rodríguez-Carvajal, 2001); data reduction: local program; program(s) used to solve structure: EXPO (Altomare et al., 1999); program(s) used to refine structure: FULLPROF (Rodríguez-Carvajal, 2001); molecular graphics: PLATON (Spek, 2009) and ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: FULLPROF (Rodríguez-Carvajal, 2001) and PLATON (Spek, 2009).
cis-Dichloridobis(2-methyl-2
H-tetrazol-5-amine-
κN4)platinum(II)
top
Crystal data top
[PtCl2(C2H5N5)2] | F(000) = 864.0 |
Mr = 464.20 | Dx = 2.445 Mg m−3 |
Orthorhombic, P212121 | Cu Kα radiation, λ = 1.5418 Å |
Hall symbol: P 2ac 2ab | T = 295 K |
a = 8.37465 (7) Å | Particle morphology: finely ground powder |
b = 11.93209 (10) Å | yellow |
c = 12.61875 (10) Å | flat sheet, 30 × 30 mm |
V = 1260.96 (2) Å3 | Specimen preparation: Prepared at 295 K and 100 kPa |
Z = 4 | |
Data collection top
HZG-4A (Carl Zeiss, Jena) diffractometer | Data collection mode: reflection |
Radiation source: fine-focus sealed X-ray tube, BSV-29 | Scan method: step |
Ni filtered monochromator | 2θmin = 5.00°, 2θmax = 120.00°, 2θstep = 0.02° |
Specimen mounting: packed powder pellet | |
Refinement top
Refinement on Inet | Profile function: psevdo-Voigt |
Least-squares matrix: full with fixed elements per cycle | 66 parameters |
Rp = 0.036 | 38 restraints |
Rwp = 0.046 | 10 constraints |
Rexp = 0.028 | H-atom parameters not refined |
RBragg = 0.045 | Weighting scheme based on measured s.u.'s |
R(F) = 0.033 | (Δ/σ)max = 0.04 |
5751 data points | Background function: Polynomial |
Excluded region(s): none | Preferred orientation correction: none |
Special details top
Geometry. Bond distances, angles etc. have been calculated using the rounded
fractional coordinates. All su's are estimated from the variances of the
(full) variance-covariance matrix. The cell e.s.d.'s are taken into account in
the estimation of distances, angles and torsion angles |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Pt1 | 0.04899 (13) | 0.44768 (10) | 0.92362 (8) | 0.0320 (5)* | |
Cl1 | −0.1758 (7) | 0.3479 (5) | 0.9730 (5) | 0.0320 (5)* | |
Cl2 | 0.0808 (6) | 0.5242 (4) | 1.0899 (5) | 0.0320 (5)* | |
N1 | 0.5010 (7) | 0.5739 (8) | 0.8577 (13) | 0.0320 (5)* | |
N2 | 0.4002 (5) | 0.6442 (11) | 0.8093 (12) | 0.0320 (5)* | |
N3 | 0.2515 (6) | 0.6207 (10) | 0.8230 (13) | 0.0320 (5)* | |
N4 | 0.2516 (3) | 0.5284 (7) | 0.8820 (11) | 0.0320 (5)* | |
N5 | 0.4488 (19) | 0.4053 (8) | 0.9523 (10) | 0.0320 (5)* | |
C2 | 0.455 (3) | 0.7322 (12) | 0.7333 (12) | 0.0320 (5)* | |
C5 | 0.4038 (5) | 0.4938 (9) | 0.8925 (14) | 0.0320 (5)* | |
N11 | −0.0479 (13) | 0.3610 (10) | 0.6121 (5) | 0.0320 (5)* | |
N22 | 0.0767 (17) | 0.2972 (13) | 0.6393 (5) | 0.0320 (5)* | |
N33 | 0.1196 (15) | 0.3049 (12) | 0.7373 (5) | 0.0320 (5)* | |
N44 | 0.0209 (13) | 0.3798 (10) | 0.7785 (5) | 0.0320 (5)* | |
N55 | −0.1990 (14) | 0.4863 (11) | 0.7199 (10) | 0.0320 (5)* | |
C22 | 0.152 (2) | 0.2175 (13) | 0.5644 (13) | 0.0320 (5)* | |
C55 | −0.0771 (18) | 0.4154 (15) | 0.7020 (6) | 0.0320 (5)* | |
H51 | 0.54642 | 0.39806 | 0.97126 | 0.048* | |
H52 | 0.37860 | 0.35670 | 0.97178 | 0.048* | |
H21 | 0.56952 | 0.73687 | 0.73498 | 0.048* | |
H22 | 0.41033 | 0.80329 | 0.75309 | 0.048* | |
H23 | 0.42073 | 0.71307 | 0.66303 | 0.048* | |
H551 | −0.26900 | 0.49850 | 0.67156 | 0.048* | |
H552 | −0.20937 | 0.51751 | 0.78132 | 0.048* | |
H221 | 0.10332 | 0.22547 | 0.49577 | 0.048* | |
H222 | 0.13629 | 0.14251 | 0.58959 | 0.048* | |
H223 | 0.26373 | 0.23329 | 0.55938 | 0.048* | |
Geometric parameters (Å, º) top
Pt1—Cl1 | 2.313 (6) | N22—C22 | 1.48 (2) |
Pt1—Cl2 | 2.304 (6) | N33—N44 | 1.324 (17) |
Pt1—N4 | 2.021 (6) | N44—C55 | 1.336 (15) |
Pt1—N44 | 2.016 (8) | N55—C55 | 1.35 (2) |
N1—N2 | 1.338 (15) | N5—H51 | 0.8600 |
N1—C5 | 1.330 (14) | N5—H52 | 0.8600 |
N2—N3 | 1.288 (8) | N55—H551 | 0.8600 |
N2—C2 | 1.49 (2) | N55—H552 | 0.8600 |
N3—N4 | 1.329 (17) | C2—H21 | 0.9600 |
N4—C5 | 1.346 (7) | C2—H22 | 0.9600 |
N5—C5 | 1.352 (17) | C2—H23 | 0.9600 |
N11—N22 | 1.337 (18) | C22—H221 | 0.9600 |
N11—C55 | 1.330 (14) | C22—H222 | 0.9600 |
N22—N33 | 1.291 (10) | C22—H223 | 0.9600 |
| | | |
Cl1—Pt1—Cl2 | 93.0 (2) | H51—N5—H52 | 120.00 |
Cl1—Pt1—N4 | 177.3 (3) | C5—N5—H51 | 120.00 |
Cl1—Pt1—N44 | 86.7 (3) | C55—N55—H551 | 120.00 |
Cl2—Pt1—N4 | 87.2 (4) | H551—N55—H552 | 120.00 |
Cl2—Pt1—N44 | 179.7 (3) | C55—N55—H552 | 120.00 |
N4—Pt1—N44 | 93.1 (5) | N1—C5—N5 | 125.1 (9) |
N2—N1—C5 | 102.4 (7) | N1—C5—N4 | 109.1 (10) |
N1—N2—N3 | 114.4 (12) | N4—C5—N5 | 124.0 (11) |
N1—N2—C2 | 122.7 (11) | N44—C55—N55 | 123.0 (10) |
N3—N2—C2 | 122.4 (14) | N11—C55—N44 | 110.4 (13) |
N2—N3—N4 | 104.8 (9) | N11—C55—N55 | 126.2 (11) |
Pt1—N4—N3 | 122.7 (4) | N2—C2—H21 | 109.00 |
Pt1—N4—C5 | 128.6 (8) | N2—C2—H22 | 110.00 |
N3—N4—C5 | 108.0 (8) | N2—C2—H23 | 110.00 |
N22—N11—C55 | 101.7 (9) | H21—C2—H22 | 109.00 |
N11—N22—N33 | 115.0 (11) | H21—C2—H23 | 109.00 |
N11—N22—C22 | 122.3 (9) | H22—C2—H23 | 110.00 |
N33—N22—C22 | 122.6 (14) | N22—C22—H221 | 109.00 |
N22—N33—N44 | 104.5 (11) | N22—C22—H222 | 109.00 |
Pt1—N44—N33 | 123.7 (7) | N22—C22—H223 | 109.00 |
Pt1—N44—C55 | 126.9 (10) | H221—C22—H222 | 109.00 |
N33—N44—C55 | 108.3 (8) | H221—C22—H223 | 110.00 |
C5—N5—H52 | 120.00 | H222—C22—H223 | 110.00 |
| | | |
Cl2—Pt1—N4—N3 | −104.4 (12) | Pt1—N4—C5—N1 | −178.3 (11) |
Cl2—Pt1—N4—C5 | 86.6 (14) | Pt1—N4—C5—N5 | −13 (2) |
N44—Pt1—N4—N3 | 75.9 (12) | N3—N4—C5—N1 | 11.4 (18) |
N44—Pt1—N4—C5 | −93.2 (14) | N3—N4—C5—N5 | 176.5 (14) |
Cl1—Pt1—N44—N33 | −111.0 (10) | C55—N11—N22—N33 | 2.8 (17) |
Cl1—Pt1—N44—C55 | 82.3 (12) | C55—N11—N22—C22 | 178.5 (14) |
N4—Pt1—N44—N33 | 66.3 (11) | N22—N11—C55—N44 | −3.2 (16) |
N4—Pt1—N44—C55 | −100.4 (12) | N22—N11—C55—N55 | −175.5 (16) |
C5—N1—N2—N3 | 8.0 (19) | N11—N22—N33—N44 | −1.3 (17) |
C5—N1—N2—C2 | −163.6 (14) | C22—N22—N33—N44 | −177.0 (13) |
N2—N1—C5—N4 | −11.4 (18) | N22—N33—N44—Pt1 | −169.6 (10) |
N2—N1—C5—N5 | −176.2 (15) | N22—N33—N44—C55 | −0.8 (16) |
N1—N2—N3—N4 | −1.3 (18) | Pt1—N44—C55—N11 | 171.0 (9) |
C2—N2—N3—N4 | 170.4 (13) | Pt1—N44—C55—N55 | −16 (2) |
N2—N3—N4—Pt1 | −177.1 (10) | N33—N44—C55—N11 | 2.6 (17) |
N2—N3—N4—C5 | −6.1 (17) | N33—N44—C55—N55 | 175.3 (14) |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
N5—H51···Cl1i | 0.86 | 2.40 | 3.228 (17) | 162 |
N5—H52···Cl1ii | 0.86 | 2.58 | 3.332 (12) | 147 |
N55—H551···Cl2iii | 0.86 | 2.82 | 3.596 (13) | 151 |
Symmetry codes: (i) x+1, y, z; (ii) x+1/2, −y+1/2, −z+2; (iii) −x−1/2, −y+1, z−1/2. |
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