A two-dimensional coordination polymer: poly[[bis­[μ₂-N-ethyl-N-(pyridin-4-ylmeth­yl)di­thio­carbamato-κ³N:S,S′]cadmium(II)] 3-methyl­pyridine monosolvate]

The title compound, {Cd[S₂CN(Et)CH₂py]₂.3-methyl­pyridine}_n, is a two-dimensional coordination polymer with square channels in which reside the 3-methyl­pyridine mol­ecules.

Key indicators

• Single-crystal X-ray study
• T = 98 K
• Mean [sigma](C-C) = 0.012 Å
• R factor = 0.037
• wR factor = 0.091
• Data-to-parameter ratio = 18.1

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....        2.2 Note
PLAT342_ALERT_3_C Low Bond Precision on  C-C Bonds ...............    0.01212 Ang.
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          7 Report
PLAT915_ALERT_3_C No Flack x Check Done: Low Friedel Pair Coverage         80 %
PLAT977_ALERT_2_C Check the Negative Difference Density on     H18      -0.32 eA-3
PLAT978_ALERT_2_C Number C-C Bonds with Positive Residual Density.          0 Note

Alert level G
PLAT004_ALERT_5_G Polymeric Structure Found with Maximum Dimension          2 Info
PLAT910_ALERT_3_G Missing # of FCF Reflection(s) Below Theta(Min)           2 Note
PLAT913_ALERT_3_G Missing # of Very Strong Reflections in FCF ....          2 Note
PLAT933_ALERT_2_G Number of OMIT Records in Embedded .res File ...          1 Note

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   6 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   4 ALERT level G = General information/check it is not something unexpected

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 ALERT type 2 Indicator that the structure model may be wrong or deficient
   5 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

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Computing details

Data collection: CrystalClear (Molecular Structure Corporation & Rigaku, 2005); cell refinement: CrystalClear (Molecular Structure Corporation & Rigaku, 2005); data reduction: CrystalClear (Molecular Structure Corporation & Rigaku, 2005); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015); molecular graphics: ORTEP-3 for Windows (Farrugia, 2012) and DIAMOND (Brandenburg, 2006); software used to prepare material for publication: publCIF (Westrip, 2010).

Poly[[bis[µ₂-N-ethyl-N-(pyridin-4-ylmethyl)dithiocarbamato-κ³N:S,S']cadmium(II)] 3-methylpyridine monosolvate]

Crystal data

[Cd(C9H11N2S2)2]·C6H7N	F(000) = 640
Mr = 628.16	Dx = 1.536 Mg m^−3
Monoclinic, P21	Mo Kα radiation, λ = 0.71069 Å
a = 9.5842 (15) Å	Cell parameters from 6543 reflections
b = 11.0788 (16) Å	θ = 2.4–40.7°
c = 12.989 (2) Å	µ = 1.13 mm^−1
β = 100.014 (4)°	T = 98 K
V = 1358.2 (4) Å^3	Block, colourless
Z = 2	0.23 × 0.20 × 0.10 mm

Data collection

AFC12K/SATURN724 diffractometer	5618 independent reflections
Radiation source: fine-focus sealed tube	5586 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.030
ω scans	θmax = 27.5°, θmin = 2.4°
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	h = −12→12
Tmin = 0.802, Tmax = 1.000	k = −14→13
10508 measured reflections	l = −15→16

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)] = 0.037	w = 1/[σ^2(Fo^2) + (0.0304P)^2 + 3.8335P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.091	(Δ/σ)max < 0.001
S = 1.08	Δρmax = 0.95 e Å^−3
5618 reflections	Δρmin = −1.20 e Å^−3
310 parameters	Absolute structure: Flack x determined using 2244 quotients [(I^+)-(I^-)]/[(I^+)+(I^-)] (Parsons et al., 2013)
1 restraint	Absolute structure parameter: 0.035 (15)

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. Being affected by the beamstop, the (100) reflection was omitted from the final cycles of refinement.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Cd	0.07792 (4)	0.11775 (5)	0.28476 (3)	0.01706 (11)
S1	0.23327 (18)	0.29766 (16)	0.23386 (13)	0.0188 (3)
S2	−0.01802 (17)	0.33065 (15)	0.33697 (13)	0.0208 (3)
S3	0.22627 (17)	0.04779 (16)	0.46716 (12)	0.0215 (3)
S4	0.24814 (18)	−0.07121 (16)	0.26516 (13)	0.0198 (3)
N1	0.1324 (5)	0.5121 (5)	0.2772 (4)	0.0171 (10)
N2	0.0426 (5)	0.6032 (7)	−0.1044 (4)	0.0216 (12)
N3	0.4308 (5)	−0.1054 (5)	0.4433 (4)	0.0182 (10)
N4	0.8778 (5)	0.0113 (5)	0.3160 (4)	0.0163 (10)
C1	0.1167 (6)	0.3905 (6)	0.2819 (4)	0.0160 (11)
C2	0.0472 (7)	0.5963 (6)	0.3283 (5)	0.0242 (15)
H2A	−0.0413	0.5561	0.3394	0.029*
H2B	0.0213	0.6674	0.2829	0.029*
C3	0.1312 (8)	0.6364 (8)	0.4323 (5)	0.0316 (18)
H3A	0.0725	0.6894	0.4675	0.047*
H3B	0.2159	0.6802	0.4206	0.047*
H3C	0.1595	0.5655	0.4761	0.047*
C4	0.2370 (7)	0.5677 (7)	0.2207 (5)	0.0238 (14)
H4A	0.3221	0.5157	0.2271	0.029*
H4B	0.2664	0.6472	0.2520	0.029*
C5	0.1735 (7)	0.5838 (6)	0.1065 (5)	0.0243 (15)
C6	0.1958 (8)	0.4960 (7)	0.0331 (6)	0.0314 (16)
H6	0.2563	0.4289	0.0528	0.038*
C7	0.1261 (8)	0.5106 (7)	−0.0692 (6)	0.0313 (16)
H7	0.1392	0.4496	−0.1181	0.038*
C8	0.0322 (9)	0.6904 (7)	−0.0345 (6)	0.0357 (18)
H8	−0.0213	0.7607	−0.0571	0.043*
C9	0.0971 (10)	0.6820 (8)	0.0704 (6)	0.0378 (19)
H9	0.0872	0.7463	0.1169	0.045*
C10	0.3130 (6)	−0.0482 (6)	0.3960 (5)	0.0158 (11)
C11	0.4862 (6)	−0.0914 (7)	0.5560 (5)	0.0239 (14)
H11A	0.4691	−0.0078	0.5778	0.029*
H11B	0.5898	−0.1056	0.5694	0.029*
C12	0.4151 (8)	−0.1797 (9)	0.6200 (6)	0.0344 (19)
H12A	0.4554	−0.1706	0.6942	0.052*
H12B	0.4308	−0.2624	0.5977	0.052*
H12C	0.3131	−0.1632	0.6092	0.052*
C13	0.5156 (6)	−0.1836 (6)	0.3869 (5)	0.0216 (13)
H13A	0.4562	−0.2126	0.3216	0.026*
H13B	0.5485	−0.2548	0.4305	0.026*
C14	0.6427 (7)	−0.1156 (6)	0.3609 (5)	0.0216 (13)
C15	0.7786 (6)	−0.1612 (6)	0.3879 (5)	0.0225 (13)
H15	0.7938	−0.2369	0.4224	0.027*
C16	0.8927 (7)	−0.0960 (6)	0.3645 (5)	0.0243 (14)
H16	0.9852	−0.1288	0.3836	0.029*
C17	0.7450 (7)	0.0563 (6)	0.2896 (5)	0.0214 (13)
H17	0.7326	0.1319	0.2547	0.026*
C18	0.6265 (7)	−0.0034 (6)	0.3115 (5)	0.0218 (13)
H18	0.5351	0.0318	0.2930	0.026*
N5	0.4417 (12)	0.1672 (11)	0.8221 (11)	0.084 (4)
C19	0.3520 (10)	0.0783 (11)	0.8364 (9)	0.059 (3)
H19	0.3143	0.0284	0.7787	0.071*
C20	0.3115 (11)	0.0565 (10)	0.9343 (8)	0.052 (2)
C21	0.3647 (10)	0.1275 (16)	1.0165 (8)	0.060 (3)
H21	0.3389	0.1126	1.0827	0.072*
C22	0.4575 (14)	0.2230 (14)	1.0056 (12)	0.081 (4)
H22	0.4972	0.2730	1.0627	0.097*
C23	0.4878 (15)	0.2396 (15)	0.9037 (12)	0.081 (4)
H23	0.5448	0.3068	0.8923	0.097*
C24	0.2137 (11)	−0.0448 (12)	0.9431 (9)	0.063 (3)
H24A	0.2640	−0.1078	0.9879	0.094*
H24B	0.1789	−0.0782	0.8735	0.094*
H24C	0.1335	−0.0156	0.9736	0.094*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cd	0.01767 (18)	0.01518 (19)	0.01811 (19)	0.0001 (2)	0.00250 (13)	0.00003 (19)
S1	0.0144 (7)	0.0213 (9)	0.0207 (7)	−0.0016 (6)	0.0030 (6)	−0.0033 (6)
S2	0.0208 (7)	0.0181 (8)	0.0255 (8)	−0.0002 (6)	0.0095 (6)	−0.0005 (6)
S3	0.0231 (8)	0.0224 (9)	0.0183 (7)	0.0048 (6)	0.0016 (6)	−0.0022 (6)
S4	0.0218 (8)	0.0182 (9)	0.0187 (7)	0.0025 (6)	0.0021 (6)	−0.0031 (6)
N1	0.017 (2)	0.018 (3)	0.016 (2)	−0.002 (2)	0.0005 (19)	0.0004 (19)
N2	0.027 (2)	0.019 (3)	0.019 (2)	0.000 (2)	0.0026 (18)	0.000 (2)
N3	0.010 (2)	0.022 (3)	0.022 (3)	−0.003 (2)	0.0009 (18)	0.000 (2)
N4	0.014 (2)	0.015 (3)	0.021 (2)	0.0000 (19)	0.0028 (18)	0.0007 (19)
C1	0.011 (3)	0.020 (3)	0.013 (3)	−0.001 (2)	−0.0073 (19)	0.000 (2)
C2	0.027 (3)	0.015 (4)	0.030 (3)	0.003 (2)	0.002 (2)	0.002 (2)
C3	0.046 (4)	0.028 (5)	0.020 (3)	0.004 (3)	0.005 (3)	−0.001 (3)
C4	0.024 (3)	0.023 (3)	0.024 (3)	−0.009 (3)	0.001 (2)	0.002 (2)
C5	0.029 (3)	0.022 (4)	0.020 (3)	−0.007 (2)	0.000 (3)	0.002 (2)
C6	0.035 (4)	0.032 (4)	0.027 (4)	0.008 (3)	0.005 (3)	0.008 (3)
C7	0.038 (4)	0.034 (4)	0.023 (3)	0.008 (3)	0.008 (3)	0.003 (3)
C8	0.051 (5)	0.021 (4)	0.031 (4)	0.009 (3)	−0.004 (3)	0.000 (3)
C9	0.055 (5)	0.028 (5)	0.027 (4)	−0.006 (4)	−0.004 (3)	−0.007 (3)
C10	0.008 (2)	0.017 (3)	0.020 (3)	−0.004 (2)	−0.003 (2)	0.002 (2)
C11	0.011 (3)	0.032 (4)	0.027 (3)	−0.003 (3)	−0.002 (2)	0.005 (3)
C12	0.026 (4)	0.050 (6)	0.024 (3)	−0.012 (4)	−0.004 (3)	0.016 (3)
C13	0.014 (3)	0.020 (3)	0.031 (3)	0.000 (2)	0.004 (2)	0.004 (3)
C14	0.024 (3)	0.016 (3)	0.026 (3)	0.001 (3)	0.007 (3)	−0.001 (2)
C15	0.016 (3)	0.018 (3)	0.035 (4)	0.000 (2)	0.007 (2)	0.006 (3)
C16	0.024 (3)	0.021 (3)	0.028 (3)	0.006 (3)	0.004 (3)	0.003 (3)
C17	0.020 (3)	0.018 (3)	0.026 (3)	0.002 (2)	0.003 (2)	0.004 (3)
C18	0.017 (3)	0.020 (3)	0.028 (3)	0.000 (2)	0.002 (2)	0.004 (3)
N5	0.068 (7)	0.083 (9)	0.114 (10)	0.023 (6)	0.054 (7)	0.041 (7)
C19	0.038 (5)	0.082 (10)	0.061 (6)	0.014 (5)	0.018 (4)	0.014 (5)
C20	0.051 (6)	0.052 (6)	0.059 (6)	0.010 (5)	0.023 (5)	0.001 (5)
C21	0.055 (5)	0.076 (8)	0.053 (5)	−0.006 (7)	0.021 (4)	−0.009 (7)
C22	0.066 (8)	0.078 (10)	0.109 (11)	0.009 (7)	0.042 (8)	0.008 (8)
C23	0.071 (9)	0.081 (10)	0.100 (11)	0.005 (7)	0.042 (8)	0.025 (8)
C24	0.047 (6)	0.074 (8)	0.067 (7)	−0.003 (5)	0.010 (5)	−0.001 (6)

Geometric parameters (Å, º)

Cd—S1	2.6399 (19)	C7—H7	0.9500
Cd—S2	2.6618 (17)	C8—C9	1.398 (11)
Cd—S3	2.6578 (16)	C8—H8	0.9500
Cd—S4	2.6932 (18)	C9—H9	0.9500
Cd—N2^i	2.430 (5)	C11—C12	1.520 (9)
Cd—N4^ii	2.346 (5)	C11—H11A	0.9900
S1—C1	1.714 (6)	C11—H11B	0.9900
S2—C1	1.715 (6)	C12—H12A	0.9800
S3—C10	1.715 (6)	C12—H12B	0.9800
S4—C10	1.724 (6)	C12—H12C	0.9800
N1—C1	1.357 (8)	C13—C14	1.519 (9)
N1—C4	1.477 (8)	C13—H13A	0.9900
N1—C2	1.471 (8)	C13—H13B	0.9900
N2—C8	1.342 (10)	C14—C15	1.385 (9)
N2—C7	1.332 (10)	C14—C18	1.396 (9)
N2—Cd^iii	2.430 (5)	C15—C16	1.388 (9)
N3—C10	1.347 (8)	C15—H15	0.9500
N3—C13	1.467 (8)	C16—H16	0.9500
N3—C11	1.477 (8)	C17—C18	1.386 (9)
N4—C16	1.341 (9)	C17—H17	0.9500
N4—C17	1.354 (8)	C18—H18	0.9500
N4—Cd^iv	2.346 (5)	N5—C23	1.341 (19)
C2—C3	1.514 (9)	N5—C19	1.341 (15)
C2—H2A	0.9900	C19—C20	1.413 (13)
C2—H2B	0.9900	C19—H19	0.9500
C3—H3A	0.9800	C20—C21	1.353 (16)
C3—H3B	0.9800	C20—C24	1.479 (15)
C3—H3C	0.9800	C21—C22	1.40 (2)
C4—C5	1.513 (9)	C21—H21	0.9500
C4—H4A	0.9900	C22—C23	1.415 (18)
C4—H4B	0.9900	C22—H22	0.9500
C5—C9	1.349 (11)	C23—H23	0.9500
C5—C6	1.403 (10)	C24—H24A	0.9800
C6—C7	1.389 (10)	C24—H24B	0.9800
C6—H6	0.9500	C24—H24C	0.9800
S1—Cd—S2	68.26 (5)	C9—C8—H8	118.7
S1—Cd—S3	101.88 (6)	C5—C9—C8	121.0 (8)
S1—Cd—S4	100.71 (5)	C5—C9—H9	119.5
S1—Cd—N2^i	90.18 (16)	C8—C9—H9	119.5
S1—Cd—N4^ii	159.47 (13)	N3—C10—S3	119.5 (5)
S2—Cd—S3	100.73 (5)	N3—C10—S4	120.6 (5)
S2—Cd—S4	162.67 (5)	S3—C10—S4	119.8 (3)
S2—Cd—N2^i	100.20 (17)	N3—C11—C12	110.8 (6)
S2—Cd—N4^ii	94.15 (14)	N3—C11—H11A	109.5
S3—Cd—S4	67.58 (5)	C12—C11—H11A	109.5
S3—Cd—N2^i	158.55 (18)	N3—C11—H11B	109.5
S3—Cd—N4^ii	91.47 (13)	C12—C11—H11B	109.5
S4—Cd—N2^i	92.95 (16)	H11A—C11—H11B	108.1
S4—Cd—N4^ii	98.77 (14)	C11—C12—H12A	109.5
N2^i—Cd—N4^ii	82.40 (18)	C11—C12—H12B	109.5
C1—S1—Cd	86.0 (2)	H12A—C12—H12B	109.5
C1—S2—Cd	85.3 (2)	C11—C12—H12C	109.5
C10—S3—Cd	86.3 (2)	H12A—C12—H12C	109.5
C10—S4—Cd	85.0 (2)	H12B—C12—H12C	109.5
C1—N1—C4	121.8 (5)	N3—C13—C14	110.7 (6)
C1—N1—C2	122.3 (5)	N3—C13—H13A	109.5
C4—N1—C2	115.9 (5)	C14—C13—H13A	109.5
C8—N2—C7	115.6 (6)	N3—C13—H13B	109.5
C8—N2—Cd^iii	121.7 (5)	C14—C13—H13B	109.5
C7—N2—Cd^iii	122.6 (5)	H13A—C13—H13B	108.1
C10—N3—C13	123.0 (5)	C15—C14—C18	117.8 (6)
C10—N3—C11	122.1 (5)	C15—C14—C13	121.2 (6)
C13—N3—C11	115.0 (5)	C18—C14—C13	121.0 (6)
C16—N4—C17	117.6 (5)	C14—C15—C16	119.8 (6)
C16—N4—Cd^iv	120.2 (4)	C14—C15—H15	120.1
C17—N4—Cd^iv	122.1 (4)	C16—C15—H15	120.1
N1—C1—S1	119.7 (5)	N4—C16—C15	122.7 (6)
N1—C1—S2	120.0 (5)	N4—C16—H16	118.6
S1—C1—S2	120.3 (4)	C15—C16—H16	118.6
N1—C2—C3	109.8 (5)	N4—C17—C18	122.7 (6)
N1—C2—H2A	109.7	N4—C17—H17	118.6
C3—C2—H2A	109.7	C18—C17—H17	118.6
N1—C2—H2B	109.7	C17—C18—C14	119.3 (6)
C3—C2—H2B	109.7	C17—C18—H18	120.3
H2A—C2—H2B	108.2	C14—C18—H18	120.3
C2—C3—H3A	109.5	C23—N5—C19	117.4 (11)
C2—C3—H3B	109.5	N5—C19—C20	122.2 (12)
H3A—C3—H3B	109.5	N5—C19—H19	118.9
C2—C3—H3C	109.5	C20—C19—H19	118.9
H3A—C3—H3C	109.5	C21—C20—C19	119.0 (11)
H3B—C3—H3C	109.5	C21—C20—C24	122.5 (10)
N1—C4—C5	110.1 (5)	C19—C20—C24	118.5 (10)
N1—C4—H4A	109.6	C20—C21—C22	121.2 (11)
C5—C4—H4A	109.6	C20—C21—H21	119.4
N1—C4—H4B	109.6	C22—C21—H21	119.4
C5—C4—H4B	109.6	C23—C22—C21	115.3 (14)
H4A—C4—H4B	108.2	C23—C22—H22	122.3
C9—C5—C6	117.4 (7)	C21—C22—H22	122.3
C9—C5—C4	122.5 (7)	N5—C23—C22	124.6 (14)
C6—C5—C4	120.1 (6)	N5—C23—H23	117.7
C7—C6—C5	117.7 (7)	C22—C23—H23	117.7
C7—C6—H6	121.2	C20—C24—H24A	109.5
C5—C6—H6	121.2	C20—C24—H24B	109.5
N2—C7—C6	125.3 (7)	H24A—C24—H24B	109.5
N2—C7—H7	117.3	C20—C24—H24C	109.5
C6—C7—H7	117.3	H24A—C24—H24C	109.5
N2—C8—C9	122.6 (7)	H24B—C24—H24C	109.5
N2—C8—H8	118.7
C4—N1—C1—S1	7.3 (7)	Cd—S3—C10—N3	168.9 (5)
C2—N1—C1—S1	−172.3 (4)	Cd—S3—C10—S4	−11.5 (3)
C4—N1—C1—S2	−173.4 (4)	Cd—S4—C10—N3	−169.0 (5)
C2—N1—C1—S2	7.0 (8)	Cd—S4—C10—S3	11.3 (3)
Cd—S1—C1—N1	−177.9 (5)	C10—N3—C11—C12	85.9 (8)
Cd—S1—C1—S2	2.8 (3)	C13—N3—C11—C12	−95.6 (7)
Cd—S2—C1—N1	177.9 (5)	C10—N3—C13—C14	98.4 (7)
Cd—S2—C1—S1	−2.8 (3)	C11—N3—C13—C14	−80.2 (7)
C1—N1—C2—C3	98.4 (7)	N3—C13—C14—C15	127.2 (7)
C4—N1—C2—C3	−81.3 (7)	N3—C13—C14—C18	−50.9 (8)
C1—N1—C4—C5	86.5 (7)	C18—C14—C15—C16	−0.7 (10)
C2—N1—C4—C5	−93.9 (6)	C13—C14—C15—C16	−179.0 (6)
N1—C4—C5—C9	86.4 (8)	C17—N4—C16—C15	0.0 (10)
N1—C4—C5—C6	−95.1 (8)	Cd^iv—N4—C16—C15	178.0 (5)
C9—C5—C6—C7	−6.3 (11)	C14—C15—C16—N4	0.1 (11)
C4—C5—C6—C7	175.2 (7)	C16—N4—C17—C18	0.6 (10)
C8—N2—C7—C6	3.1 (12)	Cd^iv—N4—C17—C18	−177.3 (5)
Cd^iii—N2—C7—C6	−178.8 (6)	N4—C17—C18—C14	−1.3 (10)
C5—C6—C7—N2	2.0 (12)	C15—C14—C18—C17	1.3 (10)
C7—N2—C8—C9	−4.0 (12)	C13—C14—C18—C17	179.5 (6)
Cd^iii—N2—C8—C9	177.9 (6)	C23—N5—C19—C20	−3.1 (17)
C6—C5—C9—C8	5.6 (12)	N5—C19—C20—C21	0.1 (16)
C4—C5—C9—C8	−175.9 (7)	N5—C19—C20—C24	−179.1 (10)
N2—C8—C9—C5	−0.4 (14)	C19—C20—C21—C22	0.8 (19)
C13—N3—C10—S3	−176.5 (5)	C24—C20—C21—C22	180.0 (12)
C11—N3—C10—S3	2.0 (8)	C20—C21—C22—C23	1 (2)
C13—N3—C10—S4	3.9 (8)	C19—N5—C23—C22	5 (2)
C11—N3—C10—S4	−177.7 (5)	C21—C22—C23—N5	−4 (2)

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

Hydrogen-bond geometry (Å, º)

Cg1 and Cg2 are the centroids of the N2/C5–C9 and N4/C14–C17 rings, respectively.

D—H···A	D—H	H···A	D···A	D—H···A
C13—H13A···N5^v	0.99	2.62	3.264 (15)	123
C24—H24C···Cg1^vi	0.98	2.72	3.662 (12)	163
C15—H15···S3^v	0.95	2.81	3.738 (7)	167
C3—H3C···Cg2^vii	0.98	2.73	3.633 (8)	154

Symmetry codes: (v) −x+1, y−1/2, −z+1; (vi) −x, y−1/2, −z+1; (vii) −x+1, y+1/2, −z+1.