A two-dimensional Cd^II coordination polymer with 2,2′-(disulfane­diyl)dibenzoate and 1,10-phen­anthroline ligands

In poly[[μ₃-2,2′-(disulfane­diyl)dibenzo­ato-κ⁵O:O,O′:O′′,O′′′](1,10-phenanthroline-κ²N,N′)cadmium(II)], [Cd(C₁₄H₈O₄S₂)(C₁₂H₈N₂)]_n, the asymmetric unit contains one Cd^II cation, one 2,2′-(disulfane­diyl)dibenzoate anion (denoted dtdb²⁻) and one 1,10-phenanthroline ligand (denoted phen). Each Cd^II centre is seven-coordinated by five O atoms of bridging/chelating carboxyl­ate groups from three dtdb²⁻ ligands and by two N atoms from one phen ligand, forming a distorted penta­gonal–bipyramidal geometry. The Cd^II cations are bridged by dtdb²⁻ anions to give a two-dimensional (4,4) layer. The layers are stacked to generate a three-dimensional supra­molecular architecture via a combination of aromatic C—H...π and π–π inter­actions. The thermogravimetric and luminescence properties of this compound were also investigated.

Computing details

Data collection: APEX2 (Bruker, 2005); cell refinement: SAINT (Bruker, 2003); data reduction: SAINT (Bruker, 2003); program(s) used to solve structure: SHELXL2013 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2013 (Sheldrick, 2008); molecular graphics: XP (Sheldrick, 2008) and DIAMOND (Brandenburg, 1999); software used to prepare material for publication: SHELXL2013 (Sheldrick, 2008) and PLATON (Spek, 2009).

Poly[[µ₃-2,2'-(disulfanediyl)dibenzoato-κ⁵O,O':O:O'',O'''](1,10-phenanthroline-κ²N,N')cadmium(II)]

Crystal data

[Cd(C14H8O4S2)(C12H8N2)]	F(000) = 1192
Mr = 596.93	Dx = 1.738 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
a = 12.2769 (18) Å	Cell parameters from 2808 reflections
b = 12.4664 (18) Å	θ = 2.4–22.6°
c = 16.5885 (17) Å	µ = 1.18 mm^−1
β = 116.011 (8)°	T = 296 K
V = 2281.7 (5) Å^3	Block, yellow
Z = 4	0.35 × 0.32 × 0.26 mm

Data collection

Bruker APEXII CCD area-detector diffractometer	3438 reflections with I > 2σ(I)
φ and ω scans	Rint = 0.065
Absorption correction: multi-scan (SADABS; Bruker, 2003)	θmax = 27.5°, θmin = 2.1°
Tmin = 0.669, Tmax = 0.736	h = −15→15
19431 measured reflections	k = −16→16
5170 independent reflections	l = −21→21

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.040	H-atom parameters constrained
wR(F^2) = 0.079	w = 1/[σ^2(Fo^2) + (0.0262P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 1.03	(Δ/σ)max = 0.001
5170 reflections	Δρmax = 1.09 e Å^−3
316 parameters	Δρmin = −0.76 e Å^−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
Cd1	0.56781 (2)	0.37057 (2)	0.48691 (2)	0.03269 (9)
C1	0.3439 (3)	0.4225 (3)	0.3500 (2)	0.0299 (8)
C2	0.2331 (3)	0.4640 (3)	0.2727 (2)	0.0302 (8)
C3	0.2190 (3)	0.5756 (3)	0.2595 (3)	0.0391 (9)
H3	0.2770	0.6211	0.3004	0.047*
C4	0.1218 (4)	0.6191 (3)	0.1880 (3)	0.0491 (11)
H4	0.1136	0.6931	0.1811	0.059*
C5	0.0369 (4)	0.5523 (4)	0.1266 (3)	0.0536 (12)
H5	−0.0277	0.5815	0.0770	0.064*
C6	0.0460 (3)	0.4426 (3)	0.1373 (3)	0.0441 (10)
H6	−0.0133	0.3987	0.0958	0.053*
C7	0.1435 (3)	0.3968 (3)	0.2102 (2)	0.0318 (9)
C8	−0.0050 (3)	0.1659 (3)	0.0401 (2)	0.0336 (9)
C9	0.0982 (4)	0.1864 (3)	0.0278 (3)	0.0457 (11)
H9	0.1640	0.2201	0.0733	0.055*
C10	0.1053 (4)	0.1581 (3)	−0.0501 (3)	0.0497 (12)
H10	0.1750	0.1734	−0.0568	0.060*
C11	0.0093 (4)	0.1071 (3)	−0.1180 (3)	0.0477 (11)
H11	0.0150	0.0850	−0.1695	0.057*
C12	−0.0949 (4)	0.0894 (3)	−0.1086 (3)	0.0414 (10)
H12	−0.1608	0.0575	−0.1555	0.050*
C13	−0.1047 (3)	0.1176 (3)	−0.0312 (3)	0.0336 (9)
C14	−0.2222 (4)	0.0999 (3)	−0.0262 (3)	0.0372 (9)
C15	0.4586 (4)	0.3057 (3)	0.6277 (3)	0.0489 (11)
H15	0.4246	0.3739	0.6147	0.059*
C16	0.4465 (4)	0.2447 (4)	0.6951 (3)	0.0547 (12)
H16	0.4059	0.2723	0.7265	0.066*
C17	0.4955 (4)	0.1452 (4)	0.7130 (3)	0.0587 (13)
H17	0.4888	0.1043	0.7576	0.070*
C18	0.5560 (4)	0.1024 (3)	0.6655 (3)	0.0460 (11)
C19	0.6044 (4)	−0.0029 (4)	0.6794 (3)	0.0604 (13)
H19	0.6019	−0.0447	0.7250	0.072*
C20	0.6535 (4)	−0.0433 (4)	0.6284 (3)	0.0607 (13)
H20	0.6824	−0.1134	0.6380	0.073*
C21	0.6626 (3)	0.0191 (3)	0.5590 (3)	0.0438 (10)
C22	0.7107 (4)	−0.0205 (3)	0.5029 (3)	0.0568 (13)
H22	0.7382	−0.0909	0.5093	0.068*
C23	0.7178 (4)	0.0433 (4)	0.4388 (3)	0.0561 (12)
H23	0.7500	0.0175	0.4012	0.067*
C24	0.6752 (4)	0.1491 (3)	0.4307 (3)	0.0491 (11)
H24	0.6825	0.1935	0.3883	0.059*
C25	0.6190 (3)	0.1250 (3)	0.5449 (2)	0.0357 (9)
C26	0.5633 (3)	0.1676 (3)	0.5985 (2)	0.0350 (9)
N1	0.5169 (3)	0.2688 (2)	0.5820 (2)	0.0384 (8)
N2	0.6249 (3)	0.1888 (2)	0.4807 (2)	0.0385 (8)
O1	0.4166 (2)	0.48925 (19)	0.40639 (16)	0.0376 (6)
O2	0.3674 (2)	0.3254 (2)	0.35609 (17)	0.0469 (7)
O3	−0.2242 (2)	0.1116 (2)	0.04813 (18)	0.0452 (7)
O4	−0.3168 (2)	0.0780 (2)	−0.09561 (19)	0.0539 (8)
S1	0.15415 (9)	0.25442 (8)	0.22761 (7)	0.0419 (3)
S2	−0.01405 (9)	0.19553 (8)	0.14316 (7)	0.0425 (3)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cd1	0.02738 (15)	0.02949 (14)	0.03658 (17)	0.00379 (13)	0.00977 (12)	0.00325 (13)
C1	0.026 (2)	0.034 (2)	0.031 (2)	0.0005 (17)	0.0135 (18)	0.0019 (17)
C2	0.030 (2)	0.035 (2)	0.026 (2)	0.0041 (17)	0.0124 (17)	0.0040 (16)
C3	0.035 (2)	0.035 (2)	0.040 (2)	0.0004 (18)	0.0090 (19)	−0.0019 (18)
C4	0.051 (3)	0.032 (2)	0.054 (3)	0.011 (2)	0.013 (2)	0.013 (2)
C5	0.039 (3)	0.053 (3)	0.051 (3)	0.007 (2)	0.003 (2)	0.014 (2)
C6	0.031 (2)	0.048 (3)	0.036 (2)	−0.0033 (19)	−0.0003 (19)	0.0026 (19)
C7	0.026 (2)	0.037 (2)	0.028 (2)	−0.0023 (16)	0.0075 (17)	0.0030 (16)
C8	0.036 (2)	0.0262 (19)	0.039 (2)	−0.0013 (17)	0.0169 (19)	0.0013 (16)
C9	0.031 (2)	0.045 (3)	0.059 (3)	−0.0067 (19)	0.019 (2)	0.003 (2)
C10	0.048 (3)	0.049 (3)	0.068 (3)	0.006 (2)	0.040 (3)	0.010 (2)
C11	0.057 (3)	0.043 (3)	0.053 (3)	0.005 (2)	0.034 (3)	0.001 (2)
C12	0.047 (3)	0.035 (2)	0.038 (2)	−0.0004 (19)	0.015 (2)	0.0003 (18)
C13	0.034 (2)	0.026 (2)	0.040 (2)	0.0020 (17)	0.0158 (18)	0.0047 (17)
C14	0.035 (2)	0.030 (2)	0.039 (2)	0.0009 (17)	0.009 (2)	−0.0019 (17)
C15	0.046 (3)	0.046 (3)	0.061 (3)	−0.010 (2)	0.029 (2)	−0.014 (2)
C16	0.056 (3)	0.069 (3)	0.052 (3)	−0.014 (3)	0.035 (3)	−0.011 (2)
C17	0.060 (3)	0.073 (4)	0.042 (3)	−0.016 (3)	0.022 (2)	0.003 (2)
C18	0.049 (3)	0.045 (3)	0.037 (2)	−0.006 (2)	0.012 (2)	0.0063 (19)
C19	0.069 (3)	0.044 (3)	0.053 (3)	−0.001 (2)	0.012 (3)	0.018 (2)
C20	0.062 (3)	0.037 (3)	0.064 (3)	0.007 (2)	0.010 (3)	0.011 (2)
C21	0.030 (2)	0.032 (2)	0.051 (3)	0.0000 (18)	0.001 (2)	0.000 (2)
C22	0.041 (3)	0.038 (3)	0.080 (4)	0.006 (2)	0.016 (3)	−0.011 (2)
C23	0.050 (3)	0.056 (3)	0.069 (3)	0.002 (2)	0.033 (3)	−0.011 (3)
C24	0.046 (3)	0.048 (3)	0.062 (3)	−0.004 (2)	0.032 (2)	−0.007 (2)
C25	0.031 (2)	0.0297 (19)	0.039 (2)	−0.0044 (18)	0.0079 (18)	0.0023 (18)
C26	0.031 (2)	0.030 (2)	0.035 (2)	−0.0040 (17)	0.0065 (18)	0.0008 (17)
N1	0.039 (2)	0.0355 (19)	0.042 (2)	−0.0018 (15)	0.0191 (17)	0.0005 (15)
N2	0.038 (2)	0.0350 (19)	0.043 (2)	0.0042 (15)	0.0178 (17)	0.0036 (16)
O1	0.0293 (15)	0.0313 (14)	0.0378 (15)	0.0026 (12)	0.0014 (12)	−0.0058 (12)
O2	0.0407 (17)	0.0337 (16)	0.0443 (17)	0.0033 (13)	−0.0017 (14)	−0.0014 (13)
O3	0.0313 (16)	0.0643 (19)	0.0405 (17)	−0.0072 (13)	0.0164 (14)	−0.0034 (14)
O4	0.0278 (16)	0.079 (2)	0.0472 (18)	−0.0076 (15)	0.0094 (14)	−0.0130 (16)
S1	0.0367 (6)	0.0339 (6)	0.0409 (6)	−0.0037 (4)	0.0039 (5)	0.0009 (5)
S2	0.0370 (6)	0.0472 (6)	0.0416 (6)	−0.0125 (5)	0.0157 (5)	−0.0083 (5)

Geometric parameters (Å, º)

Cd1—O1	2.290 (2)	C13—C14	1.498 (5)
Cd1—O3^i	2.308 (3)	C14—O3	1.252 (4)
Cd1—N1	2.314 (3)	C14—O4	1.256 (4)
Cd1—N2	2.388 (3)	C15—N1	1.332 (5)
Cd1—O1^ii	2.434 (2)	C15—C16	1.413 (6)
Cd1—O4^i	2.448 (3)	C15—H15	0.9300
Cd1—O2	2.529 (3)	C16—C17	1.353 (6)
C1—O2	1.237 (4)	C16—H16	0.9300
C1—O1	1.277 (4)	C17—C18	1.404 (6)
C1—C2	1.495 (5)	C17—H17	0.9300
C2—C3	1.407 (5)	C18—C26	1.411 (5)
C2—C7	1.410 (5)	C18—C19	1.418 (6)
C3—C4	1.372 (5)	C19—C20	1.334 (6)
C3—H3	0.9300	C19—H19	0.9300
C4—C5	1.374 (5)	C20—C21	1.433 (6)
C4—H4	0.9300	C20—H20	0.9300
C5—C6	1.377 (5)	C21—C22	1.393 (6)
C5—H5	0.9300	C21—C25	1.405 (5)
C6—C7	1.396 (5)	C22—C23	1.361 (6)
C6—H6	0.9300	C22—H22	0.9300
C7—S1	1.794 (4)	C23—C24	1.403 (5)
C8—C9	1.392 (5)	C23—H23	0.9300
C8—C13	1.410 (5)	C24—N2	1.328 (5)
C8—S2	1.800 (4)	C24—H24	0.9300
C9—C10	1.378 (6)	C25—N2	1.356 (5)
C9—H9	0.9300	C25—C26	1.439 (5)
C10—C11	1.377 (6)	C26—N1	1.362 (4)
C10—H10	0.9300	O1—Cd1^ii	2.434 (2)
C11—C12	1.373 (5)	O3—Cd1^iii	2.308 (3)
C11—H11	0.9300	O4—Cd1^iii	2.448 (3)
C12—C13	1.387 (5)	S1—S2	2.0563 (14)
C12—H12	0.9300
O1—Cd1—O3^i	130.69 (9)	C11—C12—H12	119.1
O1—Cd1—N1	111.08 (10)	C13—C12—H12	119.1
O3^i—Cd1—N1	109.28 (10)	C12—C13—C8	119.3 (4)
O1—Cd1—N2	140.02 (10)	C12—C13—C14	119.4 (3)
O3^i—Cd1—N2	79.71 (10)	C8—C13—C14	121.3 (4)
N1—Cd1—N2	71.40 (11)	O3—C14—O4	121.3 (4)
O1—Cd1—O1^ii	75.26 (9)	O3—C14—C13	118.2 (3)
O3^i—Cd1—O1^ii	83.78 (9)	O4—C14—C13	120.4 (4)
N1—Cd1—O1^ii	81.75 (10)	O3—C14—Cd1^iii	58.3 (2)
N2—Cd1—O1^ii	141.41 (9)	O4—C14—Cd1^iii	64.7 (2)
O1—Cd1—O4^i	91.41 (9)	C13—C14—Cd1^iii	163.6 (2)
O3^i—Cd1—O4^i	54.61 (9)	N1—C15—C16	122.2 (4)
N1—Cd1—O4^i	157.00 (10)	N1—C15—H15	118.9
N2—Cd1—O4^i	88.40 (10)	C16—C15—H15	118.9
O1^ii—Cd1—O4^i	109.75 (10)	C17—C16—C15	118.4 (4)
O1—Cd1—O2	53.73 (8)	C17—C16—H16	120.8
O3^i—Cd1—O2	150.62 (10)	C15—C16—H16	120.8
N1—Cd1—O2	90.64 (10)	C16—C17—C18	121.2 (4)
N2—Cd1—O2	86.87 (9)	C16—C17—H17	119.4
O1^ii—Cd1—O2	121.35 (8)	C18—C17—H17	119.4
O4^i—Cd1—O2	99.35 (9)	C17—C18—C26	117.1 (4)
O1—Cd1—C14^i	115.00 (10)	C17—C18—C19	123.2 (4)
O3^i—Cd1—C14^i	27.48 (10)	C26—C18—C19	119.6 (4)
N1—Cd1—C14^i	132.93 (11)	C20—C19—C18	121.4 (4)
N2—Cd1—C14^i	79.51 (11)	C20—C19—H19	119.3
O1^ii—Cd1—C14^i	100.74 (10)	C18—C19—H19	119.3
O4^i—Cd1—C14^i	27.63 (10)	C19—C20—C21	121.4 (4)
O2—Cd1—C14^i	124.36 (11)	C19—C20—H20	119.3
O2—C1—O1	121.0 (3)	C21—C20—H20	119.3
O2—C1—C2	120.0 (3)	C22—C21—C25	117.6 (4)
O1—C1—C2	118.9 (3)	C22—C21—C20	123.3 (4)
C3—C2—C7	118.0 (3)	C25—C21—C20	119.0 (4)
C3—C2—C1	118.7 (3)	C23—C22—C21	120.4 (4)
C7—C2—C1	123.3 (3)	C23—C22—H22	119.8
C4—C3—C2	121.8 (4)	C21—C22—H22	119.8
C4—C3—H3	119.1	C22—C23—C24	118.4 (4)
C2—C3—H3	119.1	C22—C23—H23	120.8
C3—C4—C5	119.4 (4)	C24—C23—H23	120.8
C3—C4—H4	120.3	N2—C24—C23	123.1 (4)
C5—C4—H4	120.3	N2—C24—H24	118.4
C4—C5—C6	120.9 (4)	C23—C24—H24	118.4
C4—C5—H5	119.5	N2—C25—C21	122.2 (4)
C6—C5—H5	119.5	N2—C25—C26	118.2 (3)
C5—C6—C7	120.6 (4)	C21—C25—C26	119.6 (4)
C5—C6—H6	119.7	N1—C26—C18	121.7 (4)
C7—C6—H6	119.7	N1—C26—C25	119.2 (3)
C6—C7—C2	119.3 (3)	C18—C26—C25	119.1 (4)
C6—C7—S1	121.2 (3)	C15—N1—C26	119.2 (3)
C2—C7—S1	119.4 (3)	C15—N1—Cd1	124.9 (3)
C9—C8—C13	117.8 (4)	C26—N1—Cd1	115.5 (2)
C9—C8—S2	122.7 (3)	C24—N2—C25	118.2 (3)
C13—C8—S2	119.5 (3)	C24—N2—Cd1	127.3 (3)
C10—C9—C8	121.7 (4)	C25—N2—Cd1	113.9 (2)
C10—C9—H9	119.1	C1—O1—Cd1	97.6 (2)
C8—C9—H9	119.1	C1—O1—Cd1^ii	143.8 (2)
C11—C10—C9	120.1 (4)	Cd1—O1—Cd1^ii	104.74 (9)
C11—C10—H10	120.0	C1—O2—Cd1	87.5 (2)
C9—C10—H10	120.0	C14—O3—Cd1^iii	94.2 (2)
C12—C11—C10	119.2 (4)	C14—O4—Cd1^iii	87.6 (2)
C12—C11—H11	120.4	C7—S1—S2	105.25 (12)
C10—C11—H11	120.4	C8—S2—S1	104.99 (13)
C11—C12—C13	121.8 (4)
O2—C1—C2—C3	−169.8 (4)	C20—C21—C22—C23	−179.4 (4)
O1—C1—C2—C3	6.4 (5)	C21—C22—C23—C24	−0.2 (7)
O2—C1—C2—C7	8.1 (5)	C22—C23—C24—N2	−2.2 (7)
O1—C1—C2—C7	−175.8 (3)	C22—C21—C25—N2	−1.4 (6)
C7—C2—C3—C4	−0.5 (6)	C20—C21—C25—N2	179.8 (4)
C1—C2—C3—C4	177.5 (4)	C22—C21—C25—C26	177.1 (4)
C2—C3—C4—C5	−1.1 (6)	C20—C21—C25—C26	−1.7 (5)
C3—C4—C5—C6	2.0 (7)	C17—C18—C26—N1	1.8 (6)
C4—C5—C6—C7	−1.3 (7)	C19—C18—C26—N1	179.2 (4)
C5—C6—C7—C2	−0.2 (6)	C17—C18—C26—C25	−176.7 (4)
C5—C6—C7—S1	177.7 (3)	C19—C18—C26—C25	0.6 (6)
C3—C2—C7—C6	1.1 (5)	N2—C25—C26—N1	1.2 (5)
C1—C2—C7—C6	−176.8 (3)	C21—C25—C26—N1	−177.4 (3)
C3—C2—C7—S1	−176.9 (3)	N2—C25—C26—C18	179.8 (3)
C1—C2—C7—S1	5.3 (5)	C21—C25—C26—C18	1.3 (5)
C13—C8—C9—C10	−1.9 (6)	C16—C15—N1—C26	2.2 (6)
S2—C8—C9—C10	176.7 (3)	C16—C15—N1—Cd1	−169.9 (3)
C8—C9—C10—C11	−0.7 (6)	C18—C26—N1—C15	−2.9 (5)
C9—C10—C11—C12	2.9 (6)	C25—C26—N1—C15	175.7 (3)
C10—C11—C12—C13	−2.5 (6)	C18—C26—N1—Cd1	170.0 (3)
C11—C12—C13—C8	−0.1 (6)	C25—C26—N1—Cd1	−11.5 (4)
C11—C12—C13—C14	177.8 (3)	C23—C24—N2—C25	2.7 (6)
C9—C8—C13—C12	2.2 (5)	C23—C24—N2—Cd1	172.8 (3)
S2—C8—C13—C12	−176.4 (3)	C21—C25—N2—C24	−0.8 (5)
C9—C8—C13—C14	−175.6 (3)	C26—C25—N2—C24	−179.4 (3)
S2—C8—C13—C14	5.8 (5)	C21—C25—N2—Cd1	−172.2 (3)
C12—C13—C14—O3	170.1 (3)	C26—C25—N2—Cd1	9.2 (4)
C8—C13—C14—O3	−12.1 (5)	O2—C1—O1—Cd1	3.8 (4)
C12—C13—C14—O4	−12.7 (5)	C2—C1—O1—Cd1	−172.3 (3)
C8—C13—C14—O4	165.2 (3)	O2—C1—O1—Cd1^ii	−124.4 (4)
C12—C13—C14—Cd1^iii	−116.7 (10)	C2—C1—O1—Cd1^ii	59.5 (5)
C8—C13—C14—Cd1^iii	61.2 (11)	O1—C1—O2—Cd1	−3.4 (3)
N1—C15—C16—C17	−0.5 (6)	C2—C1—O2—Cd1	172.6 (3)
C15—C16—C17—C18	−0.5 (7)	O4—C14—O3—Cd1^iii	−15.7 (4)
C16—C17—C18—C26	−0.1 (6)	C13—C14—O3—Cd1^iii	161.5 (3)
C16—C17—C18—C19	−177.4 (4)	O3—C14—O4—Cd1^iii	14.8 (4)
C17—C18—C19—C20	175.0 (4)	C13—C14—O4—Cd1^iii	−162.4 (3)
C26—C18—C19—C20	−2.2 (7)	C6—C7—S1—S2	−13.2 (3)
C18—C19—C20—C21	1.8 (7)	C2—C7—S1—S2	164.8 (3)
C19—C20—C21—C22	−178.6 (4)	C9—C8—S2—S1	−2.2 (3)
C19—C20—C21—C25	0.1 (6)	C13—C8—S2—S1	176.3 (3)
C25—C21—C22—C23	1.8 (6)

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

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C6—H6···S2	0.93	2.65	3.178 (4)	117
C9—H9···S1	0.93	2.65	3.191 (5)	118