Synthesis, crystal structure and Hirshfeld surface analysis of (2Z,2′E)-2,2′-(3-meth­oxy-3-phenylpropane-1,2-diyl­idene)bis­(hydrazine-1-carbo­thioamide) di­methyl­formamide monosolvate

In the crystal of the title compound, mol­ecules are linked to each other and solvent di­methyl­formamide mol­ecules by N—H...S, N—H...O, C—H...O and C—H...S hydrogen bonds, forming a three dimensional network.

Key indicators

Structure: I

• Single-crystal X-ray study
• T = 100 K
• Mean [sigma](C-C) = 0.004 Å
• Disorder in main residue
• R factor = 0.032
• wR factor = 0.088
• Data-to-parameter ratio = 8.8

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT089_ALERT_3_C Poor Data / Parameter Ratio (Zmax < 18) ........       6.81 Note

Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite         22 Note
PLAT003_ALERT_2_G Number of Uiso or Uij Restrained non-H Atoms ...         12 Report
PLAT143_ALERT_4_G s.u. on c - Axis Small or Missing ..............    0.00010 Ang.
PLAT175_ALERT_4_G The CIF-Embedded .res File Contains SAME Records          1 Report
PLAT176_ALERT_4_G The CIF-Embedded .res File Contains SADI Records          1 Report
PLAT177_ALERT_4_G The CIF-Embedded .res File Contains DELU Records          1 Report
PLAT178_ALERT_4_G The CIF-Embedded .res File Contains SIMU Records          1 Report
PLAT188_ALERT_3_G A Non-default SIMU Restraint Value has been used     0.0200 Report
PLAT301_ALERT_3_G Main Residue  Disorder ..............(Resd  1  )        29% Note
PLAT480_ALERT_4_G Long H...A H-Bond Reported H21B     ..S9       .       2.98 Ang.
PLAT850_ALERT_4_G Check Flack Parameter Exact Value 0.00 with s.u.       0.02 Check
PLAT860_ALERT_3_G Number of Least-Squares Restraints .............        377 Note
PLAT883_ALERT_1_G No Info/Value for _atom_sites_solution_primary .     Please Do !
PLAT899_ALERT_4_G SHELXL2018 is Deprecated and Succeeded by SHELXL     2019/3 Note
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600         16 Note
PLAT915_ALERT_3_G No Flack x Check Done: Low Friedel Pair Coverage         29 %
PLAT961_ALERT_5_G Dataset Contains no Negative Intensities .......     Please Check
PLAT978_ALERT_2_G Number C-C Bonds with Positive Residual Density.          2 Info

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 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
   9 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

---

Computing details

Data collection: CrysAlis PRO 1.171.42.91a (Rigaku OD, 2023); cell refinement: CrysAlis PRO 1.171.42.91a (Rigaku OD, 2023); data reduction: CrysAlis PRO 1.171.42.91a (Rigaku OD, 2023); program(s) used to solve structure: SHELXT2019/1 (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2019/1 (Sheldrick, 2015b); molecular graphics: ORTEP-3 for Windows (Farrugia, 2012); software used to prepare material for publication: PLATON (Spek, 2020).

\ (2Z,2'E)-2,2'-(3-Methoxy-3-phenylpropane-1,2-diylidene)\ bis(2-methylhydrazine-1-carbothioamide) dimethylformamide monosolvate

Crystal data

C12H16N6OS2·C3H7NO	F(000) = 840
Mr = 397.52	Dx = 1.295 Mg m^−3
Monoclinic, Cc	Cu Kα radiation, λ = 1.54184 Å
a = 8.4573 (1) Å	Cell parameters from 9940 reflections
b = 23.5853 (3) Å	θ = 3.7–77.6°
c = 11.0072 (1) Å	µ = 2.57 mm^−1
β = 111.749 (2)°	T = 100 K
V = 2039.29 (5) Å^3	Plate, colourless
Z = 4	0.32 × 0.12 × 0.02 mm

Data collection

XtaLAB Synergy, Dualflex, HyPix diffractometer	2776 independent reflections
Radiation source: micro-focus sealed X-ray tube, PhotonJet (Cu) X-ray Source	2751 reflections with I > 2σ(I)
Mirror monochromator	Rint = 0.030
ω scans	θmax = 77.8°, θmin = 3.8°
Absorption correction: gaussian (CrysAlisPro; Rigaku OD, 2023)	h = −10→10
Tmin = 0.658, Tmax = 1.000	k = −29→29
11141 measured reflections	l = −9→13

Refinement

Refinement on F^2	Hydrogen site location: mixed
Least-squares matrix: full	H atoms treated by a mixture of independent and constrained refinement
R[F^2 > 2σ(F^2)] = 0.032	w = 1/[σ^2(Fo^2) + (0.0653P)^2 + 0.7217P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.088	(Δ/σ)max < 0.001
S = 1.07	Δρmax = 0.30 e Å^−3
2776 reflections	Δρmin = −0.27 e Å^−3
317 parameters	Absolute structure: Classical Flack method preferred over Parsons because s.u. lower
377 restraints	Absolute structure parameter: 0.000 (16)

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.

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
S2	0.28482 (9)	0.88049 (2)	0.35678 (8)	0.02715 (16)
S9	0.62361 (9)	0.43859 (2)	0.67836 (8)	0.02788 (17)
O18	0.3029 (2)	0.69867 (7)	0.22627 (17)	0.0208 (4)
N1	0.3182 (3)	0.82853 (9)	0.5810 (2)	0.0250 (4)
H1A	0.321 (5)	0.7946 (11)	0.623 (4)	0.035 (10)*
H1B	0.277 (5)	0.8600 (14)	0.609 (4)	0.050 (12)*
N3	0.3551 (3)	0.77463 (9)	0.4201 (2)	0.0193 (4)
H3	0.338 (4)	0.7707 (16)	0.335 (2)	0.030 (9)*
N4	0.3832 (3)	0.72789 (9)	0.4985 (2)	0.0194 (4)
N7	0.5105 (3)	0.58678 (9)	0.5112 (2)	0.0206 (4)
N8	0.5322 (3)	0.54302 (9)	0.5966 (2)	0.0237 (4)
H8	0.494 (4)	0.5441 (15)	0.660 (3)	0.025 (8)*
N10	0.6502 (3)	0.49254 (10)	0.4741 (3)	0.0304 (5)
H10A	0.637 (4)	0.5197 (13)	0.412 (3)	0.028 (8)*
H10B	0.689 (5)	0.4610 (13)	0.447 (4)	0.042 (10)*
C2	0.3196 (3)	0.82596 (10)	0.4617 (3)	0.0196 (5)
C5	0.4275 (3)	0.68202 (10)	0.4549 (2)	0.0178 (5)
C6	0.4552 (3)	0.63348 (11)	0.5415 (3)	0.0211 (5)
H6	0.432845	0.636140	0.619743	0.025*
C9	0.6017 (3)	0.49391 (11)	0.5749 (3)	0.0245 (5)
C11	0.4518 (3)	0.67600 (10)	0.3245 (2)	0.0180 (4)
H11	0.462814	0.634948	0.306311	0.022*
C12	0.6115 (14)	0.7087 (7)	0.3235 (18)	0.017 (2)	0.57 (4)
C13	0.7717 (16)	0.6857 (6)	0.3961 (17)	0.019 (2)	0.57 (4)
H13	0.781040	0.650478	0.440053	0.023*	0.57 (4)
C14	0.9181 (14)	0.7156 (8)	0.4026 (14)	0.025 (2)	0.57 (4)
H14	1.027777	0.700727	0.451350	0.030*	0.57 (4)
C15	0.9025 (17)	0.7670 (7)	0.3378 (13)	0.024 (2)	0.57 (4)
H15	1.001690	0.787616	0.343977	0.029*	0.57 (4)
C16	0.7452 (17)	0.7882 (6)	0.2650 (14)	0.0204 (19)	0.57 (4)
H16	0.736384	0.822536	0.217843	0.025*	0.57 (4)
C17	0.5977 (16)	0.7599 (7)	0.2590 (16)	0.0155 (19)	0.57 (4)
H17	0.488928	0.775672	0.211265	0.019*	0.57 (4)
C12A	0.618 (2)	0.7024 (9)	0.339 (2)	0.017 (3)	0.43 (4)
C13A	0.771 (2)	0.6743 (9)	0.411 (2)	0.022 (3)	0.43 (4)
H13A	0.769780	0.639161	0.452901	0.026*	0.43 (4)
C14A	0.9259 (19)	0.6998 (9)	0.4195 (19)	0.023 (2)	0.43 (4)
H14A	1.030313	0.681309	0.467394	0.027*	0.43 (4)
C15A	0.9282 (19)	0.7516 (9)	0.3588 (17)	0.020 (2)	0.43 (4)
H15A	1.033708	0.767984	0.365263	0.025*	0.43 (4)
C16A	0.780 (2)	0.7788 (8)	0.290 (2)	0.023 (3)	0.43 (4)
H16A	0.781356	0.814671	0.251521	0.028*	0.43 (4)
C17A	0.625 (2)	0.7534 (9)	0.277 (2)	0.021 (3)	0.43 (4)
H17A	0.521200	0.771477	0.225499	0.025*	0.43 (4)
C19	0.2808 (3)	0.67848 (12)	0.0984 (3)	0.0257 (5)
H19A	0.191339	0.700524	0.032715	0.039*
H19B	0.248038	0.638391	0.091007	0.039*
H19C	0.387790	0.682681	0.084046	0.039*
O24	0.2984 (3)	0.43619 (10)	0.2226 (3)	0.0449 (6)
N20	0.1627 (4)	0.49731 (13)	0.3120 (3)	0.0405 (6)
C21	0.0784 (5)	0.50587 (19)	0.4044 (5)	0.0551 (10)
H21A	0.075716	0.469985	0.448488	0.083*
H21B	−0.038264	0.519122	0.357418	0.083*
H21C	0.140992	0.534251	0.469463	0.083*
C22	0.1605 (5)	0.54375 (17)	0.2284 (4)	0.0503 (9)
H22A	0.259076	0.541176	0.202153	0.075*
H22B	0.165269	0.579467	0.275069	0.075*
H22C	0.055571	0.542499	0.150377	0.075*
C23	0.2273 (5)	0.44708 (17)	0.3000 (4)	0.0456 (8)
H23	0.218115	0.417283	0.355074	0.055*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
S2	0.0435 (3)	0.0159 (3)	0.0262 (3)	0.0076 (2)	0.0178 (3)	0.0043 (2)
S9	0.0488 (3)	0.0145 (3)	0.0281 (3)	0.0061 (2)	0.0234 (3)	0.0048 (2)
O18	0.0219 (7)	0.0219 (8)	0.0180 (9)	0.0023 (7)	0.0067 (6)	0.0003 (7)
N1	0.0383 (11)	0.0165 (9)	0.0250 (11)	0.0039 (8)	0.0172 (9)	0.0016 (9)
N3	0.0264 (9)	0.0145 (9)	0.0198 (10)	0.0028 (7)	0.0117 (8)	0.0030 (8)
N4	0.0233 (8)	0.0140 (9)	0.0230 (10)	0.0021 (7)	0.0112 (8)	0.0016 (8)
N7	0.0298 (9)	0.0144 (9)	0.0200 (10)	0.0022 (8)	0.0120 (8)	0.0017 (8)
N8	0.0390 (11)	0.0148 (10)	0.0236 (11)	0.0044 (9)	0.0191 (9)	0.0029 (9)
N10	0.0538 (14)	0.0157 (10)	0.0324 (13)	0.0092 (10)	0.0287 (11)	0.0052 (9)
C2	0.0205 (9)	0.0158 (11)	0.0232 (12)	0.0015 (8)	0.0090 (9)	−0.0009 (9)
C5	0.0221 (10)	0.0135 (10)	0.0192 (11)	0.0007 (8)	0.0093 (9)	0.0007 (8)
C6	0.0307 (11)	0.0158 (11)	0.0208 (11)	0.0010 (9)	0.0141 (9)	0.0012 (10)
C9	0.0345 (12)	0.0169 (12)	0.0248 (12)	0.0016 (9)	0.0141 (10)	0.0011 (10)
C11	0.0199 (9)	0.0165 (10)	0.0186 (11)	0.0023 (8)	0.0081 (8)	0.0007 (9)
C12	0.014 (3)	0.023 (5)	0.013 (4)	−0.002 (3)	0.005 (2)	0.002 (3)
C13	0.028 (3)	0.015 (4)	0.017 (4)	0.001 (2)	0.011 (2)	0.007 (3)
C14	0.020 (2)	0.031 (5)	0.023 (4)	0.004 (3)	0.007 (2)	0.004 (4)
C15	0.025 (4)	0.025 (5)	0.024 (4)	0.000 (3)	0.011 (3)	0.003 (3)
C16	0.025 (4)	0.021 (4)	0.017 (4)	−0.002 (3)	0.009 (3)	0.002 (3)
C17	0.019 (3)	0.016 (4)	0.013 (4)	0.000 (3)	0.008 (3)	0.004 (2)
C12A	0.033 (5)	0.013 (4)	0.011 (5)	0.004 (3)	0.014 (3)	0.000 (3)
C13A	0.019 (3)	0.028 (6)	0.020 (5)	0.004 (3)	0.008 (3)	0.005 (4)
C14A	0.023 (3)	0.025 (6)	0.021 (5)	0.003 (4)	0.008 (3)	0.004 (4)
C15A	0.018 (3)	0.022 (6)	0.020 (5)	0.002 (4)	0.006 (3)	−0.004 (4)
C16A	0.030 (5)	0.021 (5)	0.018 (5)	−0.004 (4)	0.009 (4)	0.003 (4)
C17A	0.022 (4)	0.020 (5)	0.019 (6)	0.008 (4)	0.006 (4)	0.001 (4)
C19	0.0297 (11)	0.0270 (13)	0.0184 (12)	0.0000 (10)	0.0065 (10)	−0.0003 (10)
O24	0.0539 (13)	0.0453 (14)	0.0487 (15)	0.0031 (11)	0.0343 (12)	0.0024 (11)
N20	0.0429 (13)	0.0399 (15)	0.0428 (16)	−0.0030 (11)	0.0206 (12)	−0.0034 (13)
C21	0.056 (2)	0.060 (2)	0.060 (3)	−0.0086 (19)	0.0335 (19)	−0.013 (2)
C22	0.0547 (19)	0.0407 (18)	0.059 (2)	−0.0030 (16)	0.0248 (17)	0.0019 (18)
C23	0.0524 (18)	0.0432 (18)	0.050 (2)	−0.0031 (15)	0.0299 (17)	−0.0010 (16)

Geometric parameters (Å, º)

S2—C2	1.680 (3)	C15—C16	1.368 (9)
S9—C9	1.697 (3)	C15—H15	0.9500
O18—C11	1.426 (3)	C16—C17	1.394 (9)
O18—C19	1.430 (3)	C16—H16	0.9500
N1—C2	1.319 (4)	C17—H17	0.9500
N1—H1A	0.92 (2)	C12A—C17A	1.390 (14)
N1—H1B	0.92 (2)	C12A—C13A	1.407 (13)
N3—N4	1.365 (3)	C13A—C14A	1.413 (13)
N3—C2	1.366 (3)	C13A—H13A	0.9500
N3—H3	0.90 (2)	C14A—C15A	1.398 (12)
N4—C5	1.294 (3)	C14A—H14A	0.9500
N7—C6	1.288 (3)	C15A—C16A	1.361 (12)
N7—N8	1.362 (3)	C15A—H15A	0.9500
N8—C9	1.360 (3)	C16A—C17A	1.401 (13)
N8—H8	0.88 (2)	C16A—H16A	0.9500
N10—C9	1.318 (4)	C17A—H17A	0.9500
N10—H10A	0.91 (2)	C19—H19A	0.9800
N10—H10B	0.90 (2)	C19—H19B	0.9800
C5—C6	1.452 (3)	C19—H19C	0.9800
C5—C11	1.530 (3)	O24—C23	1.238 (4)
C6—H6	0.9500	N20—C23	1.332 (5)
C11—C12A	1.492 (19)	N20—C22	1.426 (5)
C11—C12	1.558 (13)	N20—C21	1.456 (5)
C11—H11	1.0000	C21—H21A	0.9800
C12—C17	1.384 (10)	C21—H21B	0.9800
C12—C13	1.402 (10)	C21—H21C	0.9800
C13—C14	1.404 (10)	C22—H22A	0.9800
C13—H13	0.9500	C22—H22B	0.9800
C14—C15	1.387 (9)	C22—H22C	0.9800
C14—H14	0.9500	C23—H23	0.9500
C11—O18—C19	112.21 (18)	C15—C16—H16	119.6
C2—N1—H1A	117 (3)	C17—C16—H16	119.6
C2—N1—H1B	121 (3)	C12—C17—C16	119.3 (8)
H1A—N1—H1B	119 (4)	C12—C17—H17	120.3
N4—N3—C2	120.8 (2)	C16—C17—H17	120.3
N4—N3—H3	120 (2)	C17A—C12A—C13A	119.3 (13)
C2—N3—H3	118 (2)	C17A—C12A—C11	121.0 (13)
C5—N4—N3	116.6 (2)	C13A—C12A—C11	119.7 (13)
C6—N7—N8	116.0 (2)	C12A—C13A—C14A	118.2 (12)
C9—N8—N7	118.7 (2)	C12A—C13A—H13A	120.9
C9—N8—H8	119 (2)	C14A—C13A—H13A	120.9
N7—N8—H8	123 (2)	C15A—C14A—C13A	121.2 (10)
C9—N10—H10A	128 (2)	C15A—C14A—H14A	119.4
C9—N10—H10B	124 (3)	C13A—C14A—H14A	119.4
H10A—N10—H10B	107 (4)	C16A—C15A—C14A	120.2 (10)
N1—C2—N3	117.3 (2)	C16A—C15A—H15A	119.9
N1—C2—S2	125.8 (2)	C14A—C15A—H15A	119.9
N3—C2—S2	116.9 (2)	C15A—C16A—C17A	119.5 (11)
N4—C5—C6	114.5 (2)	C15A—C16A—H16A	120.3
N4—C5—C11	125.7 (2)	C17A—C16A—H16A	120.3
C6—C5—C11	119.8 (2)	C12A—C17A—C16A	121.7 (12)
N7—C6—C5	119.3 (2)	C12A—C17A—H17A	119.2
N7—C6—H6	120.3	C16A—C17A—H17A	119.2
C5—C6—H6	120.3	O18—C19—H19A	109.5
N10—C9—N8	117.3 (2)	O18—C19—H19B	109.5
N10—C9—S9	123.8 (2)	H19A—C19—H19B	109.5
N8—C9—S9	118.9 (2)	O18—C19—H19C	109.5
O18—C11—C12A	117.2 (9)	H19A—C19—H19C	109.5
O18—C11—C5	106.77 (19)	H19B—C19—H19C	109.5
C12A—C11—C5	108.1 (10)	C23—N20—C22	121.8 (3)
O18—C11—C12	109.5 (6)	C23—N20—C21	121.2 (3)
C5—C11—C12	112.3 (8)	C22—N20—C21	116.8 (3)
O18—C11—H11	109.4	N20—C21—H21A	109.5
C5—C11—H11	109.4	N20—C21—H21B	109.5
C12—C11—H11	109.4	H21A—C21—H21B	109.5
C17—C12—C13	120.6 (9)	N20—C21—H21C	109.5
C17—C12—C11	121.8 (9)	H21A—C21—H21C	109.5
C13—C12—C11	117.5 (9)	H21B—C21—H21C	109.5
C12—C13—C14	118.9 (8)	N20—C22—H22A	109.5
C12—C13—H13	120.6	N20—C22—H22B	109.5
C14—C13—H13	120.6	H22A—C22—H22B	109.5
C15—C14—C13	119.9 (8)	N20—C22—H22C	109.5
C15—C14—H14	120.1	H22A—C22—H22C	109.5
C13—C14—H14	120.1	H22B—C22—H22C	109.5
C16—C15—C14	120.5 (8)	O24—C23—N20	125.1 (4)
C16—C15—H15	119.8	O24—C23—H23	117.5
C14—C15—H15	119.8	N20—C23—H23	117.5
C15—C16—C17	120.8 (8)
C2—N3—N4—C5	−175.4 (2)	C5—C11—C12—C13	73.3 (16)
C6—N7—N8—C9	−175.4 (2)	C17—C12—C13—C14	0 (3)
N4—N3—C2—N1	1.7 (3)	C11—C12—C13—C14	−176.8 (14)
N4—N3—C2—S2	−179.27 (16)	C12—C13—C14—C15	0 (2)
N3—N4—C5—C6	−179.78 (19)	C13—C14—C15—C16	−1.5 (19)
N3—N4—C5—C11	0.4 (3)	C14—C15—C16—C17	2.8 (19)
N8—N7—C6—C5	−179.5 (2)	C13—C12—C17—C16	1 (3)
N4—C5—C6—N7	−175.5 (2)	C11—C12—C17—C16	178.0 (14)
C11—C5—C6—N7	4.3 (3)	C15—C16—C17—C12	−3 (2)
N7—N8—C9—N10	2.6 (4)	O18—C11—C12A—C17A	12 (2)
N7—N8—C9—S9	−178.22 (17)	C5—C11—C12A—C17A	−109 (2)
C19—O18—C11—C12A	79.2 (11)	O18—C11—C12A—C13A	−165.2 (16)
C19—O18—C11—C5	−159.5 (2)	C5—C11—C12A—C13A	74 (2)
C19—O18—C11—C12	78.8 (8)	C17A—C12A—C13A—C14A	1 (3)
N4—C5—C11—O18	−50.3 (3)	C11—C12A—C13A—C14A	178.2 (18)
C6—C5—C11—O18	129.9 (2)	C12A—C13A—C14A—C15A	0 (3)
N4—C5—C11—C12A	76.6 (9)	C13A—C14A—C15A—C16A	0 (2)
C6—C5—C11—C12A	−103.2 (9)	C14A—C15A—C16A—C17A	−2 (2)
N4—C5—C11—C12	69.6 (6)	C13A—C12A—C17A—C16A	−3 (4)
C6—C5—C11—C12	−110.1 (6)	C11—C12A—C17A—C16A	179.8 (19)
O18—C11—C12—C17	14.8 (19)	C15A—C16A—C17A—C12A	4 (3)
C5—C11—C12—C17	−103.6 (16)	C22—N20—C23—O24	4.0 (6)
O18—C11—C12—C13	−168.3 (13)	C21—N20—C23—O24	178.9 (4)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N1—H1A···N4	0.92 (3)	2.27 (4)	2.670 (3)	106 (3)
N1—H1B···S9^i	0.92 (4)	2.54 (4)	3.450 (2)	172 (4)
N3—H3···O18	0.90 (2)	2.04 (3)	2.694 (3)	129 (3)
N8—H8···O24^ii	0.87 (3)	2.07 (4)	2.847 (4)	149 (3)
N10—H10A···S9^iii	0.91 (3)	2.72 (3)	3.570 (3)	156 (3)
N10—H10B···S2^iv	0.91 (4)	2.42 (4)	3.322 (3)	175 (4)
C6—H6···O24^ii	0.95	2.54	3.224 (4)	129
C11—H11···N7	1.00	2.42	2.853 (3)	105
C11—H11···S9^iii	1.00	2.87	3.706 (2)	141
C17—H17···O18	0.95	2.45	2.787 (16)	101
C21—H21B···S9^v	0.98	2.98	3.951 (5)	171

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