catena-Poly[barium(II)-μ2-(dimethyl sulfoxide)-κ2O:O-bis­(μ2-2,4,6-tri­nitro­phenolato-κ4O2,O1:O1,O6)]

Srinivasan, B.R.; Parsekar, N.U.; Narvekar, K.U.

doi:10.1107/S2414314620014984

catena-Poly[barium(II)-μ₂-(dimethyl sulfoxide)-κ²O:O-bis(μ₂-2,4,6-trinitrophenolato-κ⁴O²,O¹:O¹,O⁶)]

B. R. Srinivasan, N. U. Parsekar and K. U. Narvekar

The asymmetric unit of the title barium coordination polymer, [Ba(C₆H₂N₃O₇)₂(C₂H₆OS)]_n, consists of a barium cation (site symmetry m) and a dimethyl sulfoxide (DMSO) ligand (point group symmetry m) and a 2,4,6-trinitrophenolate anion located in general positions. The S atom and the methyl group of DMSO are disordered over two sets of sites. The DMSO ligand bridges a pair of Ba^II atoms resulting in a chain extending parallel to the a axis. The unique 2,4,6-trinitrophenolate anion also bridges a pair of Ba^II ions via the phenolic oxygen atom, with each Ba^II being additionally bonded to an oxygen atom of an adjacent nitro group. The μ₂-monoatomic bridging binding mode of both types of ligands results in the formation of an infinite chain of face-sharing {BaO₁₀} polyhedra flanked by the remaining parts of the 2,4,6-trinitrophenolato and DMSO ligands. In the one-dimensional coordination polymer, parallel chains are interlinked with the aid of C—H

O hydrogen bonds.

Keywords: crystal structure; barium; picrate anion; one-dimensional coordination polymer.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S2414314620014984/wm4142sup1.cif Contains datablocks I, global
	Structure factor file (CIF format) https://doi.org/10.1107/S2414314620014984/wm4142Isup3.hkl Contains datablock I

CCDC reference: 2043610

checkCIF report

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.005 Å
Disorder in main residue
R factor = 0.033
wR factor = 0.087
Data-to-parameter ratio = 15.7

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT220_ALERT_2_C NonSolvent   Resd 1  C   Ueq(max)/Ueq(min) Range        5.0 Ratio
PLAT220_ALERT_2_C NonSolvent   Resd 1  O   Ueq(max)/Ueq(min) Range        3.3 Ratio
PLAT241_ALERT_2_C High   'MainMol' Ueq as Compared to Neighbors of         O2 Check
PLAT242_ALERT_2_C Low    'MainMol' Ueq as Compared to Neighbors of        Ba1 Check
PLAT242_ALERT_2_C Low    'MainMol' Ueq as Compared to Neighbors of        O11 Check
PLAT242_ALERT_2_C Low    'MainMol' Ueq as Compared to Neighbors of         N2 Check
PLAT480_ALERT_4_C Long H...A H-Bond Reported H5       ..O6       .       2.63 Ang.
PLAT971_ALERT_2_C Check Calcd Resid. Dens.  0.93A   From Ba1             1.71 eA-3
PLAT971_ALERT_2_C Check Calcd Resid. Dens.  0.93A   From Ba1             1.70 eA-3
PLAT971_ALERT_2_C Check Calcd Resid. Dens.  0.88A   From Ba1             1.57 eA-3
PLAT971_ALERT_2_C Check Calcd Resid. Dens.  0.93A   From Ba1             1.53 eA-3
PLAT977_ALERT_2_C Check Negative Difference Density on H11B             -0.33 eA-3

Alert level G
PLAT004_ALERT_5_G Polymeric Structure Found with Maximum Dimension          1 Info
PLAT164_ALERT_4_G Nr. of Refined C-H H-Atoms in Heavy-Atom Struct.          1 Note
PLAT171_ALERT_4_G The CIF-Embedded .res File Contains EADP Records          1 Report
PLAT199_ALERT_1_G Reported _cell_measurement_temperature ..... (K)        293 Check
PLAT200_ALERT_1_G Reported   _diffrn_ambient_temperature ..... (K)        293 Check
PLAT300_ALERT_4_G Atom Site Occupancy of C11        Constrained at       0.73 Check
PLAT300_ALERT_4_G Atom Site Occupancy of C11'       Constrained at       0.27 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H11A       Constrained at       0.73 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H11B       Constrained at       0.73 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H11C       Constrained at       0.73 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H11D       Constrained at       0.27 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H11E       Constrained at       0.27 Check
PLAT300_ALERT_4_G Atom Site Occupancy of H11F       Constrained at       0.27 Check
PLAT301_ALERT_3_G Main Residue  Disorder ..............(Resd  1  )        11% Note
PLAT774_ALERT_1_G Check   X-Y Bond in CIF: Ba1      --Ba1       ..       4.19 Ang.
PLAT804_ALERT_5_G Number of ARU-Code Packing Problem(s) in PLATON           4 Info
PLAT910_ALERT_3_G Missing # of FCF Reflection(s) Below Theta(Min).          4 Note
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600          2 Note
PLAT913_ALERT_3_G Missing # of Very Strong Reflections in FCF ....          1 Note
PLAT933_ALERT_2_G Number of OMIT Records in Embedded .res File ...          1 Note
PLAT978_ALERT_2_G Number C-C Bonds with Positive Residual Density.          3 Info

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

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

Computing details top

Data collection: APEX3 (Bruker, 2019); cell refinement: SAINT (Bruker, 2019); data reduction: SAINT (Bruker, 2019); program(s) used to solve structure: SHELXT (Sheldrick, 2015a); program(s) used to refine structure: SHELXL (Sheldrick, 2015b); molecular graphics: OLEX2 (Dolomanov et al., 2009), DIAMOND (Brandenburg, 1999) and shelXle (Hübschle et al., 2011); software used to prepare material for publication: shelXle (Hübschle et al., 2011) and publCIF (Westrip, 2010).

catena-Poly[barium(II)-µ₂-(dimethyl sulfoxide)-κ²O:O-bis(µ₂-2,4,6-trinitrophenolato-κ⁴O²,O¹:O¹,O⁶)] top

Crystal data top

[Ba(C₆H₂N₃O₇)₂(C₂H₆OS)]	F(000) = 656
M_r = 671.68	D_x = 1.996 Mg m⁻³
Monoclinic, P2₁/m	Mo Kα radiation, λ = 0.71073 Å
a = 4.1933 (2) Å	Cell parameters from 9959 reflections
b = 24.1526 (13) Å	θ = 3.4–28.3°
c = 11.0917 (7) Å	µ = 1.96 mm⁻¹
β = 95.775 (2)°	T = 293 K
V = 1117.66 (11) Å³	Plate, yellow
Z = 2	0.23 × 0.16 × 0.05 mm

Data collection top

Bruker D8 Quest Eco diffractometer	2696 reflections with I > 2σ(I)
Radiation source: Sealed Tube	R_int = 0.045
φ and ω scans	θ_max = 28.3°, θ_min = 3.1°
Absorption correction: multi-scan (SADABS; Krause et al., 2015)	h = −5→5
T_min = 0.537, T_max = 0.746	k = −32→32
15884 measured reflections	l = −14→14
2860 independent reflections

Refinement top

Refinement on F²	0 restraints
Least-squares matrix: full	Hydrogen site location: mixed
R[F² > 2σ(F²)] = 0.033	H atoms treated by a mixture of independent and constrained refinement
wR(F²) = 0.087	w = 1/[σ²(F_o²) + (0.055P)² + 0.7054P] where P = (F_o² + 2F_c²)/3
S = 1.09	(Δ/σ)_max < 0.001
2860 reflections	Δρ_max = 1.73 e Å⁻³
182 parameters	Δρ_min = −1.10 e Å⁻³

Special details top

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 (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
Ba1	0.45109 (5)	0.250000	0.41165 (2)	0.02648 (9)
O1	0.9359 (5)	0.31686 (8)	0.3517 (2)	0.0342 (4)
O2	0.4249 (7)	0.30881 (12)	0.1757 (3)	0.0558 (7)
O3	0.6121 (10)	0.33930 (17)	0.0155 (3)	0.0842 (12)
O4	0.7913 (9)	0.54083 (14)	0.0692 (4)	0.0824 (11)
O5	1.1509 (12)	0.56275 (15)	0.2103 (4)	0.1123 (17)
O6	1.3008 (10)	0.44197 (13)	0.5598 (3)	0.0835 (12)
O7	1.4143 (7)	0.35863 (10)	0.5130 (2)	0.0522 (6)
O11	−0.0224 (9)	0.250000	0.5858 (3)	0.0470 (8)
N1	0.5951 (7)	0.33983 (13)	0.1240 (3)	0.0433 (6)
N2	0.9650 (10)	0.52998 (14)	0.1609 (4)	0.0628 (9)
N3	1.2850 (7)	0.40289 (11)	0.4887 (3)	0.0435 (6)
C1	0.9409 (7)	0.36577 (11)	0.3105 (3)	0.0312 (5)
C2	0.7786 (7)	0.38185 (13)	0.1958 (3)	0.0356 (6)
C3	0.7865 (9)	0.43382 (14)	0.1459 (3)	0.0435 (7)
H3	0.682230	0.441196	0.069627	0.052*
C4	0.9522 (9)	0.47457 (14)	0.2118 (4)	0.0465 (8)
C5	1.1114 (9)	0.46442 (14)	0.3244 (3)	0.0438 (7)
H5	1.219 (10)	0.4924 (19)	0.364 (4)	0.053*
C6	1.1081 (8)	0.41125 (12)	0.3708 (3)	0.0363 (6)
S11	0.1576 (5)	0.250000	0.70846 (17)	0.0577 (7)	0.729 (6)
C11	0.031 (2)	0.3077 (4)	0.7858 (7)	0.156 (4)	0.73
H11A	0.143280	0.308937	0.865642	0.187*	0.73
H11B	0.076199	0.340762	0.742520	0.187*	0.73
H11C	−0.195036	0.305151	0.791823	0.187*	0.73
S11'	−0.079 (3)	0.250000	0.7161 (8)	0.143 (6)	0.271 (6)
C11'	0.031 (2)	0.3077 (4)	0.7858 (7)	0.156 (4)	0.27
H11D	−0.010490	0.305316	0.869186	0.187*	0.27
H11E	0.256229	0.313593	0.781421	0.187*	0.27
H11F	−0.087455	0.338061	0.747709	0.187*	0.27

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Ba1	0.02267 (13)	0.02134 (13)	0.03503 (14)	0.000	0.00095 (8)	0.000
O1	0.0308 (10)	0.0254 (9)	0.0463 (12)	0.0007 (8)	0.0035 (8)	0.0095 (8)
O2	0.0552 (16)	0.0523 (16)	0.0588 (15)	−0.0154 (12)	0.0002 (12)	0.0058 (12)
O3	0.125 (3)	0.088 (3)	0.0385 (14)	−0.033 (2)	0.0037 (17)	0.0009 (15)
O4	0.102 (3)	0.0507 (18)	0.092 (2)	0.0103 (17)	−0.003 (2)	0.0391 (17)
O5	0.153 (4)	0.0435 (19)	0.131 (4)	−0.034 (2)	−0.032 (3)	0.034 (2)
O6	0.138 (3)	0.0460 (17)	0.0609 (18)	0.0187 (19)	−0.0173 (19)	−0.0189 (14)
O7	0.0638 (16)	0.0344 (12)	0.0545 (14)	0.0111 (11)	−0.0133 (12)	−0.0060 (10)
O11	0.056 (2)	0.048 (2)	0.0360 (16)	0.000	−0.0012 (14)	0.000
N1	0.0485 (16)	0.0407 (15)	0.0395 (13)	0.0030 (12)	−0.0011 (11)	0.0068 (12)
N2	0.081 (3)	0.0332 (16)	0.076 (2)	0.0000 (16)	0.013 (2)	0.0194 (16)
N3	0.0575 (17)	0.0280 (13)	0.0444 (14)	0.0025 (12)	0.0019 (12)	−0.0029 (11)
C1	0.0303 (13)	0.0235 (12)	0.0408 (14)	0.0041 (10)	0.0086 (11)	0.0049 (10)
C2	0.0379 (15)	0.0301 (14)	0.0393 (14)	0.0025 (11)	0.0062 (11)	0.0070 (11)
C3	0.0506 (19)	0.0359 (16)	0.0447 (16)	0.0058 (14)	0.0078 (14)	0.0135 (13)
C4	0.056 (2)	0.0278 (15)	0.057 (2)	0.0052 (14)	0.0117 (16)	0.0147 (14)
C5	0.055 (2)	0.0252 (14)	0.0520 (18)	−0.0005 (13)	0.0081 (15)	0.0026 (13)
C6	0.0420 (16)	0.0259 (13)	0.0415 (15)	0.0033 (11)	0.0070 (12)	0.0023 (11)
S11	0.0417 (12)	0.0901 (16)	0.0403 (9)	0.000	−0.0005 (7)	0.000
C11	0.141 (7)	0.213 (10)	0.110 (5)	0.007 (7)	−0.005 (5)	−0.117 (7)
S11'	0.092 (9)	0.285 (19)	0.054 (4)	0.000	0.011 (4)	0.000
C11'	0.141 (7)	0.213 (10)	0.110 (5)	0.007 (7)	−0.005 (5)	−0.117 (7)

Geometric parameters (Å, º) top

Ba1—O1ⁱ	2.725 (2)	N1—C2	1.461 (4)
Ba1—O1ⁱⁱ	2.725 (2)	N2—C4	1.456 (4)
Ba1—O1	2.730 (2)	N3—C6	1.451 (4)
Ba1—O1ⁱⁱⁱ	2.730 (2)	C1—C6	1.432 (4)
Ba1—O11^iv	2.783 (4)	C1—C2	1.435 (4)
Ba1—O7ⁱⁱ	2.865 (2)	C2—C3	1.373 (4)
Ba1—O7ⁱ	2.865 (2)	C3—C4	1.372 (5)
Ba1—O11	2.906 (4)	C3—H3	0.9300
Ba1—O2ⁱⁱⁱ	2.970 (3)	C4—C5	1.379 (5)
Ba1—O2	2.970 (3)	C5—C6	1.384 (4)
Ba1—S11	3.629 (2)	C5—H5	0.90 (4)
Ba1—Ba1^iv	4.1933 (2)	S11—C11ⁱⁱⁱ	1.747 (7)
O1—C1	1.268 (3)	S11—C11	1.747 (7)
O2—N1	1.218 (4)	C11—H11A	0.9600
O3—N1	1.212 (4)	C11—H11B	0.9600
O4—N2	1.218 (5)	C11—H11C	0.9600
O5—N2	1.204 (6)	S11'—C11'	1.637 (9)
O6—N3	1.228 (4)	C11'—H11D	0.9600
O7—N3	1.217 (4)	C11'—H11E	0.9600
O11—S11	1.488 (4)	C11'—H11F	0.9600
O11—S11'	1.488 (9)

O1ⁱ—Ba1—O1ⁱⁱ	72.68 (9)	O7ⁱ—Ba1—Ba1^iv	95.35 (6)
O1ⁱ—Ba1—O1	151.94 (9)	O11—Ba1—Ba1^iv	138.60 (7)
O1ⁱⁱ—Ba1—O1	100.46 (6)	O2ⁱⁱⁱ—Ba1—Ba1^iv	87.04 (6)
O1ⁱ—Ba1—O1ⁱⁱⁱ	100.46 (6)	O2—Ba1—Ba1^iv	87.04 (6)
O1ⁱⁱ—Ba1—O1ⁱⁱⁱ	151.94 (9)	S11—Ba1—Ba1^iv	115.50 (3)
O1—Ba1—O1ⁱⁱⁱ	72.52 (9)	C1—O1—Ba1^iv	126.78 (18)
O1ⁱ—Ba1—O11^iv	136.32 (6)	C1—O1—Ba1	132.75 (18)
O1ⁱⁱ—Ba1—O11^iv	136.32 (6)	Ba1^iv—O1—Ba1	100.46 (6)
O1—Ba1—O11^iv	67.10 (7)	N1—O2—Ba1	137.6 (2)
O1ⁱⁱⁱ—Ba1—O11^iv	67.10 (7)	N3—O7—Ba1^iv	139.3 (2)
O1ⁱ—Ba1—O7ⁱⁱ	124.46 (7)	S11—O11—Ba1ⁱⁱ	158.2 (2)
O1ⁱⁱ—Ba1—O7ⁱⁱ	58.69 (7)	S11—O11—Ba1	106.9 (2)
O1—Ba1—O7ⁱⁱ	67.95 (8)	S11'—O11—Ba1	146.2 (5)
O1ⁱⁱⁱ—Ba1—O7ⁱⁱ	135.08 (7)	Ba1ⁱⁱ—O11—Ba1	94.94 (9)
O11^iv—Ba1—O7ⁱⁱ	78.34 (6)	O3—N1—O2	123.9 (3)
O1ⁱ—Ba1—O7ⁱ	58.69 (7)	O3—N1—C2	117.9 (3)
O1ⁱⁱ—Ba1—O7ⁱ	124.46 (7)	O2—N1—C2	118.2 (3)
O1—Ba1—O7ⁱ	135.08 (7)	O5—N2—O4	123.0 (4)
O1ⁱⁱⁱ—Ba1—O7ⁱ	67.95 (8)	O5—N2—C4	118.4 (4)
O11^iv—Ba1—O7ⁱ	78.34 (6)	O4—N2—C4	118.6 (4)
O7ⁱⁱ—Ba1—O7ⁱ	132.66 (11)	O7—N3—O6	122.6 (3)
O1ⁱ—Ba1—O11	65.44 (7)	O7—N3—C6	119.9 (3)
O1ⁱⁱ—Ba1—O11	65.44 (7)	O6—N3—C6	117.5 (3)
O1—Ba1—O11	137.49 (6)	O1—C1—C6	124.8 (3)
O1ⁱⁱⁱ—Ba1—O11	137.48 (6)	O1—C1—C2	123.3 (3)
O11^iv—Ba1—O11	94.94 (9)	C6—C1—C2	111.9 (3)
O7ⁱⁱ—Ba1—O11	70.84 (6)	C3—C2—C1	125.2 (3)
O7ⁱ—Ba1—O11	70.84 (6)	C3—C2—N1	116.6 (3)
O1ⁱ—Ba1—O2ⁱⁱⁱ	62.84 (7)	C1—C2—N1	118.2 (3)
O1ⁱⁱ—Ba1—O2ⁱⁱⁱ	96.33 (7)	C4—C3—C2	118.2 (3)
O1—Ba1—O2ⁱⁱⁱ	91.77 (8)	C4—C3—H3	120.9
O1ⁱⁱⁱ—Ba1—O2ⁱⁱⁱ	57.66 (7)	C2—C3—H3	120.9
O11^iv—Ba1—O2ⁱⁱⁱ	124.61 (8)	C3—C4—C5	121.9 (3)
O7ⁱⁱ—Ba1—O2ⁱⁱⁱ	141.74 (8)	C3—C4—N2	119.3 (3)
O7ⁱ—Ba1—O2ⁱⁱⁱ	84.78 (8)	C5—C4—N2	118.8 (4)
O11—Ba1—O2ⁱⁱⁱ	128.20 (8)	C4—C5—C6	118.7 (3)
O1ⁱ—Ba1—O2	96.33 (7)	C4—C5—H5	119 (3)
O1ⁱⁱ—Ba1—O2	62.84 (7)	C6—C5—H5	123 (3)
O1—Ba1—O2	57.66 (7)	C5—C6—C1	124.1 (3)
O1ⁱⁱⁱ—Ba1—O2	91.77 (8)	C5—C6—N3	116.1 (3)
O11^iv—Ba1—O2	124.61 (8)	C1—C6—N3	119.7 (3)
O7ⁱⁱ—Ba1—O2	84.78 (8)	O11—S11—C11ⁱⁱⁱ	107.4 (3)
O7ⁱ—Ba1—O2	141.74 (8)	O11—S11—C11	107.4 (3)
O11—Ba1—O2	128.20 (8)	C11ⁱⁱⁱ—S11—C11	105.9 (7)
O2ⁱⁱⁱ—Ba1—O2	57.15 (12)	O11—S11—Ba1	50.03 (16)
O1ⁱ—Ba1—S11	83.59 (5)	C11ⁱⁱⁱ—S11—Ba1	126.4 (4)
O1ⁱⁱ—Ba1—S11	83.59 (5)	C11—S11—Ba1	126.4 (4)
O1—Ba1—S11	123.35 (5)	S11—C11—H11A	109.5
O1ⁱⁱⁱ—Ba1—S11	123.35 (5)	S11—C11—H11B	109.5
O11^iv—Ba1—S11	71.83 (8)	H11A—C11—H11B	109.5
O7ⁱⁱ—Ba1—S11	66.89 (6)	S11—C11—H11C	109.5
O7ⁱ—Ba1—S11	66.89 (6)	H11A—C11—H11C	109.5
O11—Ba1—S11	23.10 (8)	H11B—C11—H11C	109.5
O2ⁱⁱⁱ—Ba1—S11	144.44 (6)	O11—S11'—C11'	113.2 (5)
O2—Ba1—S11	144.44 (6)	S11'—C11'—H11D	109.5
O1ⁱ—Ba1—Ba1^iv	140.18 (4)	S11'—C11'—H11E	109.5
O1ⁱⁱ—Ba1—Ba1^iv	140.18 (4)	H11D—C11'—H11E	109.5
O1—Ba1—Ba1^iv	39.73 (4)	S11'—C11'—H11F	109.5
O1ⁱⁱⁱ—Ba1—Ba1^iv	39.73 (4)	H11D—C11'—H11F	109.5
O11^iv—Ba1—Ba1^iv	43.66 (7)	H11E—C11'—H11F	109.5
O7ⁱⁱ—Ba1—Ba1^iv	95.35 (6)

Ba1—O2—N1—O3	144.7 (4)	O5—N2—C4—C5	10.7 (7)
Ba1—O2—N1—C2	−38.2 (5)	O4—N2—C4—C5	−170.5 (4)
Ba1^iv—O7—N3—O6	173.9 (3)	C3—C4—C5—C6	1.3 (6)
Ba1^iv—O7—N3—C6	−7.2 (6)	N2—C4—C5—C6	−177.8 (3)
Ba1^iv—O1—C1—C6	−58.8 (4)	C4—C5—C6—C1	−1.9 (5)
Ba1—O1—C1—C6	119.2 (3)	C4—C5—C6—N3	178.8 (3)
Ba1^iv—O1—C1—C2	120.7 (3)	O1—C1—C6—C5	179.9 (3)
Ba1—O1—C1—C2	−61.3 (4)	C2—C1—C6—C5	0.3 (4)
O1—C1—C2—C3	−177.7 (3)	O1—C1—C6—N3	−0.8 (5)
C6—C1—C2—C3	1.9 (4)	C2—C1—C6—N3	179.6 (3)
O1—C1—C2—N1	0.9 (4)	O7—N3—C6—C5	−147.6 (3)
C6—C1—C2—N1	−179.5 (3)	O6—N3—C6—C5	31.4 (5)
O3—N1—C2—C3	39.9 (5)	O7—N3—C6—C1	33.0 (5)
O2—N1—C2—C3	−137.3 (3)	O6—N3—C6—C1	−148.0 (4)
O3—N1—C2—C1	−138.8 (4)	Ba1ⁱⁱ—O11—S11—C11ⁱⁱⁱ	56.7 (4)
O2—N1—C2—C1	44.0 (4)	Ba1—O11—S11—C11ⁱⁱⁱ	−123.3 (4)
C1—C2—C3—C4	−2.5 (5)	Ba1ⁱⁱ—O11—S11—C11	−56.7 (4)
N1—C2—C3—C4	178.9 (3)	Ba1—O11—S11—C11	123.3 (4)
C2—C3—C4—C5	0.7 (6)	Ba1ⁱⁱ—O11—S11—Ba1	180.000 (2)
C2—C3—C4—N2	179.8 (3)	Ba1ⁱⁱ—O11—S11'—C11'	−112.1 (7)
O5—N2—C4—C3	−168.4 (5)	Ba1—O11—S11'—C11'	67.9 (7)
O4—N2—C4—C3	10.4 (6)

Symmetry codes: (i) x−1, −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) top

D—H···A	D—H	H···A	D···A	D—H···A
C3—H3···O4^v	0.93	2.43	3.283 (5)	153
C5—H5···O6^vi	0.90 (4)	2.63 (4)	3.492 (5)	159 (3)

Symmetry codes: (v) −x+1, −y+1, −z; (vi) −x+3, −y+1, −z+1.

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catena-Poly[barium(II)-μ2-(dimethyl sulfoxide)-κ2O:O-bis­(μ2-2,4,6-tri­nitro­phenolato-κ4O2,O1:O1,O6)]

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catena-Poly[barium(II)-μ₂-(dimethyl sulfoxide)-κ²O:O-bis(μ₂-2,4,6-trinitrophenolato-κ⁴O²,O¹:O¹,O⁶)]