One- and two-dimensional Pb^II com­pounds resulting from reaction of PbBr₂ and Pb(SCN)₂ with pyrimidine-2-thione

Pyrimidine-2-thione (HSpym) reacts with lead(II) thio­cyanate and lead(II) bromide in N,N-di­methyl­formamide (DMF) to form poly[(μ-iso­thio­cyanato-κ²N:S)(μ₄-pyrimidine-2-thiol­ato-κ⁶N¹,S:S:S:S,N³)lead(II)], [Pb(C₄H₃N₂S)(NCS)]_n or [Pb(Spym)(NCS)]_n, (I), and the polymeric one-dimensional (1D) com­pound catena-poly[[μ₄-bromido-di-μ-bromido-(μ-pyrimidine-2-thiol­ato-κ³N¹,S:S)(μ-pyrimidine-2-thione-κ³N¹,S:S)dilead(II)] N,N-di­methyl­formamide monosolvate], {[Pb₂Br₃(C₄H₃N₂S)(C₄H₄N₂S)]·C₃H₇NO}_n or {[Pb₂Br₃(Spym)(HSpym)]·DMF}_n, (IIa), respectively. Poly[μ₄-bromido-di-μ₃-bromido-(μ-pyrimidine-2-thiol­ato-κ³N¹,S:S)(μ-pyrimidine-2-thione-κ³N¹,S:S)dilead(II)], [Pb₂Br₃(C₄H₃N₂S)(C₄H₄N₂S)]_n or [Pb₂Br₃(Spym)(HSpym)]_n, (IIb), could be obtained as a mixture with (IIa) when using a lesser amount of solvent. In the crystal structures of the pseudohalide/halide Pb^II stable com­pounds, coordination of anionic and neutral HSpym has been observed. Both Spym⁻ (in the thiol­ate tautomeric form) and NCS⁻ ligands were responsible for the two-dimensional (2D) arrangement in (I). The Br⁻ ligands establish the 1D polymeric arrangement in (IIa). Eight-coordinated metal centres have been observed in both com­pounds, when considering the Pb...S and Pb...Br inter­actions. Both com­pounds were characterized by FT–IR and diffuse reflectance spectroscopies, as well as by powder X-ray diffraction. Compound (IIa) and its desolvated version (IIb) represent the first structurally characterized Pb^II com­pounds containing neutral HSpym and anionic Spym⁻ ligands. After a prolonged time in solution, (IIa) is converted to another com­pound due to com­plete deprotonation of HSpym. The structural characterization of (I) and (II) suggests HSpym as a good candidate for the removal of Pb^II ions from solutions containing thio­cyanate or bromide ions.

Computing details

For all structures, data collection: APEX3 (Bruker, 2016); cell refinement: SAINT (Bruker, 2016); data reduction: SAINT (Bruker, 2016); program(s) used to solve structure: SHELXT2014 (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2018 (Sheldrick, 2015b); molecular graphics: DIAMOND (Brandenburg, 2014); software used to prepare material for publication: SHELXTL (Bruker, 2016) and WinGX (Farrugia, 2012).

Poly[(µ-isothiocyanato-κ²N:S)(µ₄-pyrimidine-2-thiolato-κ⁶N¹,S:S:S:S,N³)lead(II)] (I)

Crystal data

[Pb(C4H3N2S)(NCS)]	Dx = 3.188 Mg m^−3
Mr = 376.41	Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, Pbcm	Cell parameters from 9783 reflections
a = 9.5993 (4) Å	θ = 3.2–28.3°
b = 8.5887 (3) Å	µ = 21.97 mm^−1
c = 9.5137 (4) Å	T = 299 K
V = 784.36 (5) Å^3	Block, yellow
Z = 4	0.20 × 0.10 × 0.05 mm
F(000) = 672

Data collection

Bruker D8 venture Photon 100 diffractometer	942 reflections with I > 2σ(I)
Radiation source: microfocus x ray tube	Rint = 0.025
φ and ω scans	θmax = 28.3°, θmin = 3.2°
Absorption correction: multi-scan (SADABS; Bruker, 2016)	h = −12→12
Tmin = 0.485, Tmax = 0.746	k = −11→11
49451 measured reflections	l = −12→12
1027 independent reflections

Refinement

Refinement on F^2	Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full	H-atom parameters constrained
R[F^2 > 2σ(F^2)] = 0.010	w = 1/[σ^2(Fo^2) + (0.0091P)^2 + 0.6117P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.024	(Δ/σ)max = 0.001
S = 1.22	Δρmax = 0.75 e Å^−3
1027 reflections	Δρmin = −0.51 e Å^−3
59 parameters	Extinction correction: SHELXL2018 (Sheldrick, 2015b), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
0 restraints	Extinction coefficient: 0.0118 (3)

Special details

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 (Ų)

	x	y	z	Uiso*/Ueq
Pb1	0.43045 (2)	0.00123 (2)	0.750000	0.02053 (6)
S1	0.51385 (6)	0.250000	0.500000	0.02462 (14)
S2	0.20787 (9)	−0.48583 (7)	0.750000	0.03332 (17)
N1	0.26661 (15)	0.14748 (17)	0.58303 (16)	0.0223 (3)
N2	0.2242 (3)	−0.1624 (3)	0.750000	0.0320 (5)
C1	0.3337 (2)	0.250000	0.500000	0.0182 (4)
C2	0.12738 (18)	0.1448 (2)	0.5779 (2)	0.0263 (4)
H2	0.079954	0.069093	0.628896	0.032*
C3	0.0519 (3)	0.250000	0.500000	0.0274 (5)
H3	−0.045017	0.250000	0.499998	0.033*
C4	0.2191 (2)	−0.2977 (3)	0.750000	0.0220 (5)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Pb1	0.01770 (8)	0.01859 (7)	0.02529 (8)	0.00003 (3)	0.000	0.000
S1	0.0164 (3)	0.0267 (3)	0.0307 (3)	0.000	0.000	−0.0012 (3)
S2	0.0336 (4)	0.0215 (3)	0.0449 (4)	−0.0038 (3)	0.000	0.000
N1	0.0211 (7)	0.0260 (7)	0.0196 (7)	−0.0016 (6)	−0.0009 (6)	0.0046 (6)
N2	0.0249 (12)	0.0250 (11)	0.0459 (14)	−0.0039 (9)	0.000	0.000
C1	0.0202 (10)	0.0200 (10)	0.0143 (10)	0.000	0.000	−0.0021 (9)
C2	0.0225 (8)	0.0343 (9)	0.0221 (9)	−0.0056 (7)	0.0013 (7)	0.0049 (8)
C3	0.0174 (10)	0.0403 (15)	0.0243 (13)	0.000	0.000	0.0016 (12)
C4	0.0154 (11)	0.0281 (12)	0.0225 (11)	−0.0030 (9)	0.000	0.000

Geometric parameters (Å, º)

Pb1—N2	2.428 (2)	N1—C2	1.338 (2)
Pb1—N1	2.5641 (14)	N1—C1	1.3470 (18)
Pb1—N1^i	2.5641 (14)	N2—C4	1.164 (3)
S1—C1	1.729 (2)	C2—C3	1.375 (2)
S2—C4	1.619 (3)
N2—Pb1—N1	77.49 (5)	N1^ii—C1—N1	122.8 (2)
N2—Pb1—N1^i	77.49 (5)	N1^ii—C1—S1	118.58 (11)
N1—Pb1—N1^i	76.56 (7)	N1—C1—S1	118.57 (11)
C2—N1—C1	117.90 (16)	N1—C2—C3	122.33 (18)
C2—N1—Pb1	128.82 (12)	C2—C3—C2^ii	116.4 (2)
C1—N1—Pb1	112.96 (12)	N2—C4—S2	178.6 (3)
C4—N2—Pb1	127.8 (2)

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

catena-Poly[[µ₄-bromido-di-µ-bromido-(µ-pyrimidine-2-thiolato-κ³N¹,S:S)(µ-pyrimidine-2-thione-κ³N¹,S:S)dilead(II)] N,N-dimethylformamide monosolvate] (IIa)

Crystal data

[Pb2Br3(C4H3N2S)(C4H4N2S)]·C3H7NO	F(000) = 848
Mr = 950.50	Dx = 3.061 Mg m^−3
Monoclinic, P21/m	Mo Kα radiation, λ = 0.71073 Å
a = 4.3103 (1) Å	Cell parameters from 9863 reflections
b = 24.7913 (8) Å	θ = 2.3–28.2°
c = 9.6633 (3) Å	µ = 22.33 mm^−1
β = 93.092 (1)°	T = 299 K
V = 1031.10 (5) Å^3	Block, colorless
Z = 2	0.12 × 0.05 × 0.04 mm

Data collection

Bruker D8 Venture Photon 100 diffractometer	2378 reflections with I > 2σ(I)
Radiation source: microfocus X ray tube	Rint = 0.022
φ and ω scans	θmax = 28.2°, θmin = 2.7°
Absorption correction: multi-scan (SADABS; Bruker, 2016)	h = −5→5
Tmin = 0.426, Tmax = 0.694	k = −32→33
16000 measured reflections	l = −12→12
2594 independent reflections

Refinement

Refinement on F^2	Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full	H-atom parameters constrained
R[F^2 > 2σ(F^2)] = 0.033	w = 1/[σ^2(Fo^2) + (0.0314P)^2 + 8.1717P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.081	(Δ/σ)max = 0.001
S = 1.06	Δρmax = 4.43 e Å^−3
2594 reflections	Δρmin = −3.05 e Å^−3
118 parameters	Extinction correction: SHELXL2018 (Sheldrick, 2015b), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
0 restraints	Extinction coefficient: 0.0019 (2)

Special details

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 (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Pb1	0.52608 (6)	0.34038 (2)	0.69870 (3)	0.04743 (12)
Br1	0.03304 (15)	0.38057 (3)	0.50914 (7)	0.04499 (18)
Br2	0.0708 (2)	0.250000	0.79391 (11)	0.0427 (2)
S1	0.1696 (4)	0.38934 (6)	0.91620 (18)	0.0414 (4)
N1	0.4971 (11)	0.4453 (2)	0.7439 (5)	0.0345 (10)
N2	0.1989 (12)	0.4967 (2)	0.8926 (5)	0.0346 (10)
H2A	0.075447	0.498290	0.959489	0.041*	0.5
C1	0.2962 (13)	0.4484 (2)	0.8466 (6)	0.0325 (11)
C2	0.5897 (14)	0.4906 (3)	0.6864 (7)	0.0386 (13)
H2	0.725488	0.488443	0.615050	0.046*
C3	0.4936 (15)	0.5411 (3)	0.7278 (7)	0.0423 (14)
H3	0.560128	0.572569	0.685995	0.051*
C4	0.2961 (15)	0.5422 (2)	0.8333 (7)	0.0393 (13)
H4	0.226903	0.575298	0.864948	0.047*
O1	−1.491 (3)	0.250000	0.4910 (12)	0.098 (4)
N3	−1.431 (4)	0.250000	0.2555 (13)	0.081 (4)
C10	−1.438 (11)	0.2320 (15)	0.385 (3)	0.174 (11)	0.5
H10	−1.388822	0.195547	0.391020	0.208*	0.5
C11	−1.477 (13)	0.3052 (17)	0.227 (4)	0.174 (11)	0.5
H11A	−1.284353	0.321008	0.201278	0.261*	0.5
H11B	−1.546585	0.323063	0.307436	0.261*	0.5
H11C	−1.629909	0.309218	0.151550	0.261*	0.5
C12	−1.368 (13)	0.2141 (16)	0.139 (4)	0.174 (11)	0.5
H12A	−1.483053	0.226287	0.056986	0.261*	0.5
H12B	−1.429755	0.178019	0.160350	0.261*	0.5
H12C	−1.149811	0.214709	0.123364	0.261*	0.5

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Pb1	0.03462 (16)	0.04494 (17)	0.0638 (2)	0.00670 (10)	0.01260 (11)	0.01840 (12)
Br1	0.0351 (3)	0.0588 (4)	0.0415 (3)	−0.0009 (3)	0.0066 (2)	0.0111 (3)
Br2	0.0366 (4)	0.0285 (4)	0.0633 (6)	0.000	0.0065 (4)	0.000
S1	0.0504 (9)	0.0314 (7)	0.0435 (9)	−0.0005 (6)	0.0142 (7)	0.0060 (6)
N1	0.033 (2)	0.034 (3)	0.037 (3)	0.000 (2)	0.0056 (19)	0.002 (2)
N2	0.037 (3)	0.032 (2)	0.035 (3)	0.000 (2)	0.004 (2)	0.0029 (19)
C1	0.032 (3)	0.032 (3)	0.034 (3)	−0.001 (2)	0.002 (2)	0.002 (2)
C2	0.034 (3)	0.044 (3)	0.038 (3)	−0.003 (3)	0.005 (2)	0.004 (3)
C3	0.041 (3)	0.039 (3)	0.047 (4)	−0.005 (3)	0.006 (3)	0.011 (3)
C4	0.041 (3)	0.029 (3)	0.047 (4)	0.001 (2)	0.002 (3)	0.004 (2)
O1	0.090 (8)	0.139 (11)	0.066 (6)	0.000	0.015 (6)	0.000
N3	0.138 (12)	0.048 (6)	0.056 (6)	0.000	0.003 (7)	0.000
C10	0.29 (3)	0.15 (2)	0.097 (14)	0.06 (2)	0.069 (17)	0.002 (12)
C11	0.29 (3)	0.15 (2)	0.097 (14)	0.06 (2)	0.069 (17)	0.002 (12)
C12	0.29 (3)	0.15 (2)	0.097 (14)	0.06 (2)	0.069 (17)	0.002 (12)

Geometric parameters (Å, º)

Pb1—N1	2.641 (5)	C3—H3	0.9300
Pb1—Br1	2.9059 (7)	C4—H4	0.9300
Pb1—S1	2.9325 (17)	O1—C10	1.15 (3)
Pb1—Br1^i	3.0911 (7)	N3—C10	1.33 (3)
Pb1—Br2	3.1485 (7)	N3—C11	1.41 (4)
S1—C1	1.713 (6)	N3—C12	1.47 (3)
N1—C2	1.325 (8)	C10—H10	0.9300
N1—C1	1.354 (8)	C11—H11A	0.9600
N2—C4	1.343 (8)	C11—H11B	0.9600
N2—C1	1.352 (8)	C11—H11C	0.9600
N2—H2A	0.8600	C12—H12A	0.9600
C2—C3	1.385 (10)	C12—H12B	0.9600
C2—H2	0.9300	C12—H12C	0.9600
C3—C4	1.363 (10)
N1—Pb1—Br1	74.16 (11)	C4—C3—C2	116.2 (6)
N1—Pb1—S1	56.13 (11)	C4—C3—H3	121.9
Br1—Pb1—S1	85.20 (4)	C2—C3—H3	121.9
N1—Pb1—Br1^i	79.73 (11)	N2—C4—C3	121.6 (6)
Br1—Pb1—Br1^i	91.847 (19)	N2—C4—H4	119.2
S1—Pb1—Br1^i	134.89 (4)	C3—C4—H4	119.2
N1—Pb1—Br2	128.07 (11)	C10—N3—C11	120 (2)
Br1—Pb1—Br2	88.97 (2)	C10—N3—C12	122 (2)
S1—Pb1—Br2	74.11 (3)	C11—N3—C12	118 (2)
Br1^i—Pb1—Br2	150.96 (2)	O1—C10—N3	136 (3)
Pb1—Br1—Pb1^ii	91.846 (19)	O1—C10—H10	111.8
Pb1^iii—Br2—Pb1	90.74 (3)	N3—C10—H10	111.8
C1—S1—Pb1	83.2 (2)	N3—C11—H11A	109.5
C2—N1—C1	118.5 (5)	N3—C11—H11B	109.5
C2—N1—Pb1	138.5 (4)	H11A—C11—H11B	109.5
C1—N1—Pb1	102.4 (4)	N3—C11—H11C	109.5
C4—N2—C1	119.6 (5)	H11A—C11—H11C	109.5
C4—N2—H2A	120.2	H11B—C11—H11C	109.5
C1—N2—H2A	120.2	N3—C12—H12A	109.5
N2—C1—N1	120.9 (5)	N3—C12—H12B	109.5
N2—C1—S1	121.1 (4)	H12A—C12—H12B	109.5
N1—C1—S1	117.9 (4)	N3—C12—H12C	109.5
N1—C2—C3	123.0 (6)	H12A—C12—H12C	109.5
N1—C2—H2	118.5	H12B—C12—H12C	109.5
C3—C2—H2	118.5

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

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N2—H2A···N2^iv	0.86	1.91	2.767 (10)	179

Symmetry code: (iv) −x, −y+1, −z+2.

Poly[µ₄-bromido-di-µ₃-bromido-(µ-pyrimidine-2-thiolato-κ³N¹,S:S)(µ-pyrimidine-2-thione-κ³N¹,S:S)dilead(II)] (IIb)

Crystal data

[Pb2Br3(C4H3N2S)(C4H4N2S)]	F(000) = 1536
Mr = 877.41	Dx = 3.730 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
a = 17.547 (5) Å	Cell parameters from 9986 reflections
b = 4.2514 (3) Å	θ = 2.4–30.5°
c = 21.894 (7) Å	µ = 29.46 mm^−1
β = 106.966 (16)°	T = 295 K
V = 1562.2 (7) Å^3	Block, light-yellow
Z = 4	0.39 × 0.07 × 0.03 mm

Data collection

Bruker D8 Venture Photon 100 diffractometer	2242 reflections with I > 2σ(I)
Radiation source: microfocus X ray tube	Rint = 0.023
φ and ω scans	θmax = 30.6°, θmin = 2.4°
Absorption correction: multi-scan (SADABS; Bruker, 2016)	h = −21→24
Tmin = 0.289, Tmax = 0.746	k = −6→6
17601 measured reflections	l = −31→30
2343 independent reflections

Refinement

Refinement on F^2	Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full	H-atom parameters constrained
R[F^2 > 2σ(F^2)] = 0.012	w = 1/[σ^2(Fo^2) + (0.0125P)^2 + 2.3053P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.029	(Δ/σ)max = 0.004
S = 1.06	Δρmax = 0.57 e Å^−3
2343 reflections	Δρmin = −0.80 e Å^−3
88 parameters	Extinction correction: SHELXL2018 (Sheldrick, 2015b), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
0 restraints	Extinction coefficient: 0.00245 (7)

Special details

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 (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Pb1	0.62109 (2)	0.67145 (2)	0.71531 (2)	0.02909 (4)
C1	0.50924 (12)	0.3324 (4)	0.58705 (9)	0.0230 (4)
N1	0.48277 (10)	0.5502 (4)	0.62046 (8)	0.0263 (3)
Br1	0.77897 (2)	0.71661 (5)	0.68325 (2)	0.02801 (5)
Br2	0.500000	1.14010 (6)	0.750000	0.02689 (6)
C2	0.40592 (14)	0.6273 (5)	0.60070 (11)	0.0314 (4)
H2	0.386446	0.770911	0.624501	0.038*
N2	0.46221 (11)	0.2108 (4)	0.53175 (8)	0.0266 (3)
H2A	0.481355	0.080102	0.510090	0.032*	0.5
S1	0.60707 (3)	0.21178 (12)	0.61544 (2)	0.02555 (10)
C4	0.38519 (14)	0.2967 (5)	0.51106 (11)	0.0322 (4)
H4	0.352774	0.216808	0.472721	0.039*
C3	0.35392 (13)	0.5011 (6)	0.54591 (11)	0.0355 (5)
H3	0.300076	0.552773	0.533288	0.043*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Pb1	0.02909 (5)	0.02830 (5)	0.02880 (5)	0.00298 (3)	0.00672 (3)	−0.00450 (3)
C1	0.0257 (9)	0.0220 (9)	0.0206 (8)	−0.0036 (7)	0.0055 (7)	0.0020 (6)
N1	0.0294 (8)	0.0240 (8)	0.0244 (7)	0.0006 (7)	0.0063 (6)	0.0016 (6)
Br1	0.02035 (9)	0.03036 (10)	0.03246 (10)	−0.00128 (7)	0.00636 (7)	−0.00230 (8)
Br2	0.02367 (13)	0.02740 (13)	0.03302 (14)	0.000	0.01362 (10)	0.000
C2	0.0331 (11)	0.0293 (10)	0.0329 (10)	0.0062 (8)	0.0114 (8)	0.0033 (8)
N2	0.0276 (8)	0.0285 (8)	0.0216 (7)	−0.0034 (6)	0.0038 (6)	−0.0007 (6)
S1	0.0232 (2)	0.0290 (2)	0.0235 (2)	−0.00089 (17)	0.00521 (17)	−0.00290 (17)
C4	0.0283 (10)	0.0353 (11)	0.0281 (10)	−0.0036 (8)	0.0005 (8)	0.0026 (8)
C3	0.0259 (10)	0.0392 (12)	0.0384 (11)	0.0039 (9)	0.0049 (8)	0.0054 (10)

Geometric parameters (Å, º)

Pb1—N1	2.7437 (18)	N1—C2	1.331 (3)
Pb1—S1	2.8892 (7)	C2—C3	1.386 (3)
Pb1—Br1	3.0560 (8)	C2—H2	0.9300
Pb1—Br1^i	3.0779 (6)	N2—C4	1.344 (3)
Pb1—Br2	3.1627 (5)	N2—H2A	0.8600
C1—N1	1.344 (3)	C4—C3	1.372 (4)
C1—N2	1.353 (2)	C4—H4	0.9300
C1—S1	1.724 (2)	C3—H3	0.9300
N1—Pb1—S1	55.87 (4)	Pb1—Br1—Pb1^ii	103.743 (18)
N1—Pb1—Br1	119.93 (4)	Pb1^iii—Br2—Pb1	101.906 (16)
S1—Pb1—Br1	75.601 (17)	N1—C2—C3	122.3 (2)
N1—Pb1—Br1^i	128.32 (4)	N1—C2—H2	118.8
S1—Pb1—Br1^i	91.48 (2)	C3—C2—H2	118.8
Br1—Pb1—Br1^i	80.871 (18)	C4—N2—C1	119.23 (19)
N1—Pb1—Br2	78.01 (4)	C4—N2—H2A	120.4
S1—Pb1—Br2	133.874 (15)	C1—N2—H2A	120.4
Br1—Pb1—Br2	137.151 (10)	C1—S1—Pb1	85.84 (7)
Br1^i—Pb1—Br2	120.250 (17)	N2—C4—C3	120.7 (2)
N1—C1—N2	122.19 (19)	N2—C4—H4	119.7
N1—C1—S1	118.33 (14)	C3—C4—H4	119.7
N2—C1—S1	119.46 (15)	C4—C3—C2	117.2 (2)
C2—N1—C1	118.09 (18)	C4—C3—H3	121.4
C2—N1—Pb1	142.01 (15)	C2—C3—H3	121.4
C1—N1—Pb1	99.87 (12)

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

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N2—H2A···N2^iv	0.86	1.97	2.825 (4)	173

Symmetry code: (iv) −x+1, −y, −z+1.