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The N atoms of the title compound, C18H16N2O4S2, are not preorganized for metal cation binding. The N-H groups form hydrogen bonds with symmetry-equivalent sulfonamide groups.
Supporting information
CCDC reference: 264059
Key indicators
- Single-crystal X-ray study
- T = 200 K
- R factor = 0.033
- wR factor = 0.090
- Data-to-parameter ratio = 17.4
checkCIF/PLATON results
No syntax errors found
No errors found in this datablock
Data collection: CAD-4-PC (Enraf-Nonius, 1996); cell refinement: CAD-4-PC; data reduction: XCAD4 (Harms, 1995); program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: PLATON (Spek, 2003).
N,
N'-(
o-Phenylene)dibenzenesulfonamide
top
Crystal data top
C18H16N2O4S2 | F(000) = 808 |
Mr = 388.4 | Dx = 1.480 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ybc | Cell parameters from 25 reflections |
a = 9.5311 (8) Å | θ = 10.1–16.0° |
b = 12.5662 (10) Å | µ = 0.33 mm−1 |
c = 14.9862 (12) Å | T = 200 K |
β = 103.774 (7)° | Prism, colorless |
V = 1743.3 (3) Å3 | 0.44 × 0.34 × 0.29 mm |
Z = 4 | |
Data collection top
Enraf-Nonius CAD-4 diffractometer | Rint = 0.036 |
Radiation source: fine-focus sealed tube | θmax = 28.0°, θmin = 2.1° |
Graphite monochromator | h = −12→0 |
ω scans | k = −16→16 |
8691 measured reflections | l = −19→19 |
4198 independent reflections | 3 standard reflections every 120 min |
3371 reflections with I > 2σ(I) | intensity decay: 4% |
Refinement top
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.033 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.090 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.02 | w = 1/[σ2(Fo2) + (0.0402P)2 + 0.6951P] where P = (Fo2 + 2Fc2)/3 |
4198 reflections | (Δ/σ)max = 0.001 |
241 parameters | Δρmax = 0.34 e Å−3 |
1 restraint | Δρmin = −0.41 e Å−3 |
Special details top
Geometry. Bond distances, angles etc. have been calculated using the rounded
fractional coordinates. All su's are estimated from the variances of the
(full) variance-covariance matrix. The cell e.s.d.'s are taken into account in
the estimation of distances, angles and torsion angles |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor
wR and goodness of fit S are based on F2, conventional
R-factors R are based on F, with F set to zero for
negative F2. The threshold expression of F2 >
σ(F2) is used only for calculating R-factors(gt) etc.
and is not relevant to the choice of reflections for refinement.
R-factors based on F2 are statistically about twice as large
as those based on F, and R- factors based on ALL data will be
even larger. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
S1 | 0.66159 (4) | 0.60337 (3) | 0.10487 (2) | 0.0217 (1) | |
S2 | 1.04688 (4) | 0.64797 (3) | −0.07323 (3) | 0.0228 (1) | |
O1 | 0.80779 (12) | 0.63132 (10) | 0.14659 (8) | 0.0279 (3) | |
O2 | 0.61142 (13) | 0.49634 (9) | 0.11226 (8) | 0.0283 (3) | |
O3 | 1.12350 (12) | 0.56226 (9) | −0.01979 (8) | 0.0271 (3) | |
O4 | 1.12072 (13) | 0.74595 (10) | −0.07854 (9) | 0.0330 (4) | |
N1 | 0.63487 (15) | 0.62474 (11) | −0.00570 (9) | 0.0234 (4) | |
N2 | 0.91067 (15) | 0.66955 (11) | −0.02699 (9) | 0.0245 (4) | |
C1 | 0.66442 (17) | 0.72736 (13) | −0.03928 (10) | 0.0241 (4) | |
C2 | 0.80122 (17) | 0.74722 (12) | −0.05488 (10) | 0.0232 (4) | |
C3 | 0.8259 (2) | 0.84392 (14) | −0.09395 (12) | 0.0315 (5) | |
C4 | 0.7165 (2) | 0.91867 (15) | −0.11609 (14) | 0.0404 (6) | |
C5 | 0.5823 (2) | 0.89981 (16) | −0.09964 (14) | 0.0406 (6) | |
C6 | 0.5565 (2) | 0.80379 (15) | −0.06104 (12) | 0.0334 (5) | |
C11 | 0.54795 (16) | 0.69011 (12) | 0.14763 (10) | 0.0222 (4) | |
C12 | 0.40034 (18) | 0.66971 (14) | 0.12630 (12) | 0.0301 (5) | |
C13 | 0.31151 (18) | 0.73612 (15) | 0.16140 (13) | 0.0333 (5) | |
C14 | 0.36831 (19) | 0.82084 (14) | 0.21738 (11) | 0.0296 (5) | |
C15 | 0.51551 (19) | 0.84185 (14) | 0.23657 (11) | 0.0296 (5) | |
C16 | 0.60647 (17) | 0.77651 (13) | 0.20126 (11) | 0.0268 (4) | |
C21 | 0.97546 (16) | 0.60210 (13) | −0.18574 (10) | 0.0244 (4) | |
C22 | 0.8956 (2) | 0.50840 (14) | −0.19887 (12) | 0.0329 (5) | |
C23 | 0.8440 (2) | 0.47056 (16) | −0.28737 (13) | 0.0398 (6) | |
C24 | 0.8734 (2) | 0.52557 (18) | −0.36138 (12) | 0.0412 (6) | |
C25 | 0.9516 (2) | 0.61843 (18) | −0.34747 (12) | 0.0405 (6) | |
C26 | 1.00271 (18) | 0.65828 (15) | −0.25934 (12) | 0.0311 (5) | |
H1 | 0.562 (2) | 0.5984 (17) | −0.0328 (14) | 0.0350* | |
H2 | 0.887 (2) | 0.6162 (15) | −0.0034 (14) | 0.0370* | |
H3 | 0.91790 | 0.85850 | −0.10540 | 0.0380* | |
H4 | 0.73420 | 0.98420 | −0.14310 | 0.0480* | |
H5 | 0.50850 | 0.95210 | −0.11460 | 0.0490* | |
H6 | 0.46440 | 0.79020 | −0.04940 | 0.0400* | |
H12 | 0.36140 | 0.61120 | 0.08830 | 0.0360* | |
H13 | 0.21030 | 0.72360 | 0.14700 | 0.0400* | |
H14 | 0.30650 | 0.86470 | 0.24280 | 0.0360* | |
H15 | 0.55390 | 0.90100 | 0.27390 | 0.0360* | |
H16 | 0.70720 | 0.79070 | 0.21360 | 0.0320* | |
H22 | 0.87680 | 0.47090 | −0.14790 | 0.0390* | |
H23 | 0.78850 | 0.40700 | −0.29760 | 0.0480* | |
H24 | 0.83910 | 0.49880 | −0.42190 | 0.0490* | |
H25 | 0.97080 | 0.65560 | −0.39850 | 0.0490* | |
H26 | 1.05560 | 0.72310 | −0.24960 | 0.0370* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
S1 | 0.0195 (2) | 0.0231 (2) | 0.0234 (2) | 0.0007 (1) | 0.0067 (1) | 0.0014 (1) |
S2 | 0.0202 (2) | 0.0253 (2) | 0.0239 (2) | −0.0011 (1) | 0.0073 (1) | 0.0029 (1) |
O1 | 0.0193 (5) | 0.0351 (6) | 0.0291 (6) | 0.0007 (5) | 0.0052 (4) | 0.0006 (5) |
O2 | 0.0296 (6) | 0.0237 (6) | 0.0328 (6) | −0.0006 (5) | 0.0097 (5) | 0.0033 (5) |
O3 | 0.0210 (5) | 0.0311 (6) | 0.0288 (6) | 0.0026 (5) | 0.0053 (4) | 0.0051 (5) |
O4 | 0.0306 (6) | 0.0311 (6) | 0.0385 (7) | −0.0084 (5) | 0.0107 (5) | 0.0036 (5) |
N1 | 0.0217 (6) | 0.0259 (7) | 0.0224 (6) | −0.0018 (5) | 0.0051 (5) | −0.0001 (5) |
N2 | 0.0267 (7) | 0.0237 (7) | 0.0265 (7) | 0.0035 (5) | 0.0129 (5) | 0.0058 (5) |
C1 | 0.0283 (8) | 0.0237 (7) | 0.0199 (7) | 0.0028 (6) | 0.0050 (6) | 0.0006 (6) |
C2 | 0.0278 (7) | 0.0228 (7) | 0.0194 (7) | 0.0018 (6) | 0.0064 (6) | 0.0002 (6) |
C3 | 0.0352 (9) | 0.0281 (9) | 0.0327 (8) | 0.0004 (7) | 0.0109 (7) | 0.0060 (7) |
C4 | 0.0525 (12) | 0.0271 (9) | 0.0422 (10) | 0.0060 (8) | 0.0127 (9) | 0.0114 (8) |
C5 | 0.0436 (11) | 0.0333 (9) | 0.0437 (10) | 0.0160 (9) | 0.0081 (8) | 0.0096 (8) |
C6 | 0.0309 (9) | 0.0346 (9) | 0.0347 (9) | 0.0087 (7) | 0.0081 (7) | 0.0041 (7) |
C11 | 0.0210 (7) | 0.0249 (7) | 0.0220 (7) | 0.0009 (6) | 0.0078 (6) | 0.0011 (6) |
C12 | 0.0237 (8) | 0.0320 (9) | 0.0347 (9) | −0.0032 (7) | 0.0072 (7) | −0.0073 (7) |
C13 | 0.0210 (7) | 0.0385 (10) | 0.0413 (9) | 0.0010 (7) | 0.0095 (7) | −0.0037 (8) |
C14 | 0.0314 (8) | 0.0294 (8) | 0.0308 (8) | 0.0055 (7) | 0.0127 (7) | 0.0014 (7) |
C15 | 0.0345 (9) | 0.0273 (8) | 0.0282 (8) | −0.0008 (7) | 0.0098 (7) | −0.0037 (6) |
C16 | 0.0235 (7) | 0.0304 (8) | 0.0269 (8) | −0.0038 (6) | 0.0067 (6) | −0.0011 (6) |
C21 | 0.0194 (7) | 0.0306 (8) | 0.0237 (7) | 0.0050 (6) | 0.0064 (6) | 0.0029 (6) |
C22 | 0.0386 (10) | 0.0304 (9) | 0.0284 (8) | 0.0003 (7) | 0.0057 (7) | 0.0049 (7) |
C23 | 0.0451 (11) | 0.0340 (9) | 0.0356 (10) | 0.0008 (8) | 0.0004 (8) | −0.0028 (8) |
C24 | 0.0413 (10) | 0.0534 (12) | 0.0259 (8) | 0.0139 (9) | 0.0023 (7) | −0.0032 (8) |
C25 | 0.0372 (10) | 0.0600 (13) | 0.0260 (8) | 0.0069 (9) | 0.0108 (7) | 0.0093 (8) |
C26 | 0.0247 (8) | 0.0400 (10) | 0.0311 (8) | 0.0016 (7) | 0.0114 (6) | 0.0078 (7) |
Geometric parameters (Å, º) top
S1—O1 | 1.4287 (12) | C14—C15 | 1.389 (3) |
S1—O2 | 1.4405 (12) | C15—C16 | 1.387 (2) |
S1—N1 | 1.6376 (14) | C21—C26 | 1.385 (2) |
S1—C11 | 1.7614 (16) | C21—C22 | 1.390 (2) |
S2—O3 | 1.4340 (12) | C22—C23 | 1.384 (3) |
S2—O4 | 1.4298 (13) | C23—C24 | 1.391 (3) |
S2—N2 | 1.6333 (15) | C24—C25 | 1.374 (3) |
S2—C21 | 1.7584 (15) | C25—C26 | 1.388 (3) |
N1—C1 | 1.436 (2) | C3—H3 | 0.9506 |
N2—C2 | 1.417 (2) | C4—H4 | 0.9502 |
N1—H1 | 0.79 (2) | C5—H5 | 0.9496 |
N2—H2 | 0.814 (19) | C6—H6 | 0.9503 |
C1—C2 | 1.401 (2) | C12—H12 | 0.9497 |
C1—C6 | 1.388 (3) | C13—H13 | 0.9501 |
C2—C3 | 1.393 (2) | C14—H14 | 0.9502 |
C3—C4 | 1.384 (3) | C15—H15 | 0.9497 |
C4—C5 | 1.380 (3) | C16—H16 | 0.9504 |
C5—C6 | 1.385 (3) | C22—H22 | 0.9502 |
C11—C16 | 1.387 (2) | C23—H23 | 0.9501 |
C11—C12 | 1.390 (2) | C24—H24 | 0.9494 |
C12—C13 | 1.379 (3) | C25—H25 | 0.9503 |
C13—C14 | 1.384 (3) | C26—H26 | 0.9507 |
| | | |
S1···N2 | 3.5308 (15) | C25···C2vi | 3.528 (2) |
S1···O3i | 3.3759 (12) | C26···C14x | 3.593 (3) |
S1···H2 | 2.99 (2) | C26···O1vi | 3.344 (2) |
S2···H3 | 2.9087 | C2···H25ii | 2.7914 |
O1···N2 | 3.0288 (18) | C3···H25ii | 2.9258 |
O1···C2 | 3.3393 (19) | C4···H24ii | 3.0481 |
O1···C26ii | 3.344 (2) | C13···H26ix | 3.0887 |
O1···C22i | 3.261 (2) | C13···H23iv | 3.0390 |
O2···C15iii | 3.416 (2) | C14···H4xi | 2.7709 |
O2···C14iii | 3.344 (2) | C21···H16vi | 2.9650 |
O2···N1iv | 2.9310 (19) | C24···H3xii | 3.0139 |
O3···N1i | 3.2485 (19) | C25···H16vi | 2.9296 |
O3···C12v | 3.291 (2) | C26···H13x | 3.0676 |
O3···S1i | 3.3759 (12) | C26···H14x | 2.9024 |
O3···O3i | 3.0012 (17) | C26···H16vi | 2.8221 |
O3···N2i | 3.0318 (18) | H1···H6 | 2.5741 |
O4···C3 | 3.026 (2) | H1···O2iv | 2.15 (2) |
O1···H2 | 2.54 (2) | H2···S1 | 2.99 (2) |
O1···H16 | 2.5293 | H2···O1 | 2.54 (2) |
O2···H12 | 2.7356 | H2···N1 | 2.40 (2) |
O2···H15iii | 2.8476 | H2···O3i | 2.275 (19) |
O2···H14iii | 2.6939 | H3···S2 | 2.9087 |
O2···H1iv | 2.15 (2) | H3···O4 | 2.3513 |
O3···H12v | 2.5287 | H3···C24xiii | 3.0139 |
O3···H2i | 2.275 (19) | H4···C14xi | 2.7709 |
O3···H22i | 2.5480 | H4···H14xi | 2.3900 |
O3···H22 | 2.8953 | H6···H1 | 2.5741 |
O4···H3 | 2.3513 | H12···O2 | 2.7356 |
O4···H26 | 2.5063 | H12···O3vii | 2.5287 |
N1···N2 | 2.780 (2) | H13···H22iv | 2.5823 |
N1···O2iv | 2.9310 (19) | H13···C26ix | 3.0676 |
N1···O3i | 3.2485 (19) | H13···H26ix | 2.4722 |
N2···S1 | 3.5308 (15) | H14···O2viii | 2.6939 |
N2···O3i | 3.0318 (18) | H14···H4xi | 2.3900 |
N2···O1 | 3.0288 (18) | H14···C26ix | 2.9024 |
N2···N1 | 2.780 (2) | H15···O2viii | 2.8476 |
N1···H2 | 2.40 (2) | H16···O1 | 2.5293 |
N2···H25ii | 2.8876 | H16···C21ii | 2.9649 |
C1···C15vi | 3.433 (2) | H16···C25ii | 2.9296 |
C2···O1 | 3.3393 (19) | H16···C26ii | 2.8221 |
C2···C25ii | 3.528 (2) | H22···O3 | 2.8953 |
C3···O4 | 3.026 (2) | H22···O3i | 2.5480 |
C6···C15vi | 3.484 (2) | H22···H13iv | 2.5823 |
C6···C11 | 3.457 (2) | H23···C13iv | 3.0390 |
C11···C6 | 3.457 (2) | H24···C4vi | 3.0481 |
C12···O3vii | 3.291 (2) | H25···N2vi | 2.8876 |
C14···O2viii | 3.344 (2) | H25···C2vi | 2.7914 |
C14···C26ix | 3.593 (3) | H25···C3vi | 2.9258 |
C15···C1ii | 3.433 (2) | H26···O4 | 2.5063 |
C15···C6ii | 3.484 (2) | H26···C13x | 3.0887 |
C15···O2viii | 3.416 (2) | H26···H13x | 2.4722 |
C22···O1i | 3.261 (2) | | |
| | | |
O1—S1—O2 | 120.19 (7) | S2—C21—C22 | 119.16 (12) |
O1—S1—N1 | 107.64 (7) | S2—C21—C26 | 119.56 (13) |
O1—S1—C11 | 107.99 (7) | C22—C21—C26 | 121.27 (15) |
O2—S1—N1 | 104.86 (7) | C21—C22—C23 | 118.95 (16) |
O2—S1—C11 | 107.80 (7) | C22—C23—C24 | 120.01 (18) |
N1—S1—C11 | 107.80 (7) | C23—C24—C25 | 120.42 (17) |
O3—S2—O4 | 119.07 (8) | C24—C25—C26 | 120.39 (17) |
O3—S2—N2 | 103.79 (7) | C21—C26—C25 | 118.95 (17) |
O3—S2—C21 | 108.59 (7) | C2—C3—H3 | 119.96 |
O4—S2—N2 | 109.40 (7) | C4—C3—H3 | 120.05 |
O4—S2—C21 | 108.19 (8) | C3—C4—H4 | 119.36 |
N2—S2—C21 | 107.21 (7) | C5—C4—H4 | 119.42 |
S1—N1—C1 | 120.37 (11) | C4—C5—H5 | 120.34 |
S2—N2—C2 | 126.37 (11) | C6—C5—H5 | 120.41 |
S1—N1—H1 | 111.0 (15) | C1—C6—H6 | 119.85 |
C1—N1—H1 | 114.7 (15) | C5—C6—H6 | 119.79 |
C2—N2—H2 | 115.8 (14) | C11—C12—H12 | 120.68 |
S2—N2—H2 | 112.2 (14) | C13—C12—H12 | 120.62 |
N1—C1—C6 | 120.49 (15) | C12—C13—H13 | 119.70 |
C2—C1—C6 | 120.31 (15) | C14—C13—H13 | 119.65 |
N1—C1—C2 | 119.10 (14) | C13—C14—H14 | 119.94 |
N2—C2—C1 | 118.50 (14) | C15—C14—H14 | 119.93 |
N2—C2—C3 | 122.60 (15) | C14—C15—H15 | 119.96 |
C1—C2—C3 | 118.86 (15) | C16—C15—H15 | 119.99 |
C2—C3—C4 | 120.00 (17) | C11—C16—H16 | 120.53 |
C3—C4—C5 | 121.22 (18) | C15—C16—H16 | 120.59 |
C4—C5—C6 | 119.25 (18) | C21—C22—H22 | 120.52 |
C1—C6—C5 | 120.36 (18) | C23—C22—H22 | 120.52 |
S1—C11—C12 | 118.59 (12) | C22—C23—H23 | 120.03 |
S1—C11—C16 | 119.88 (12) | C24—C23—H23 | 119.95 |
C12—C11—C16 | 121.54 (15) | C23—C24—H24 | 119.78 |
C11—C12—C13 | 118.70 (16) | C25—C24—H24 | 119.80 |
C12—C13—C14 | 120.65 (17) | C24—C25—H25 | 119.80 |
C13—C14—C15 | 120.14 (16) | C26—C25—H25 | 119.82 |
C14—C15—C16 | 120.05 (16) | C21—C26—H26 | 120.50 |
C11—C16—C15 | 118.88 (15) | C25—C26—H26 | 120.56 |
| | | |
O1—S1—N1—C1 | −54.90 (14) | C2—C1—C6—C5 | 1.0 (3) |
O2—S1—N1—C1 | 176.02 (13) | N1—C1—C6—C5 | −175.31 (16) |
C11—S1—N1—C1 | 61.36 (14) | C6—C1—C2—C3 | −1.1 (2) |
O1—S1—C11—C12 | −171.64 (13) | N2—C2—C3—C4 | −177.12 (16) |
O1—S1—C11—C16 | 8.40 (15) | C1—C2—C3—C4 | 0.4 (2) |
O2—S1—C11—C12 | −40.37 (15) | C2—C3—C4—C5 | 0.5 (3) |
O2—S1—C11—C16 | 139.67 (13) | C3—C4—C5—C6 | −0.6 (3) |
N1—S1—C11—C12 | 72.33 (14) | C4—C5—C6—C1 | −0.1 (3) |
N1—S1—C11—C16 | −107.63 (13) | S1—C11—C12—C13 | 178.56 (13) |
O3—S2—N2—C2 | 179.96 (12) | C12—C11—C16—C15 | 2.0 (2) |
O4—S2—N2—C2 | 51.87 (15) | C16—C11—C12—C13 | −1.5 (2) |
C21—S2—N2—C2 | −65.23 (15) | S1—C11—C16—C15 | −178.01 (12) |
O3—S2—C21—C22 | 50.77 (16) | C11—C12—C13—C14 | −0.6 (3) |
O3—S2—C21—C26 | −127.61 (14) | C12—C13—C14—C15 | 2.0 (3) |
O4—S2—C21—C22 | −178.68 (14) | C13—C14—C15—C16 | −1.4 (3) |
O4—S2—C21—C26 | 2.94 (16) | C14—C15—C16—C11 | −0.6 (2) |
N2—S2—C21—C22 | −60.78 (15) | C22—C21—C26—C25 | −1.4 (3) |
N2—S2—C21—C26 | 120.84 (14) | S2—C21—C26—C25 | 176.91 (14) |
S1—N1—C1—C2 | 91.94 (16) | S2—C21—C22—C23 | −177.70 (14) |
S1—N1—C1—C6 | −91.75 (17) | C26—C21—C22—C23 | 0.7 (3) |
S2—N2—C2—C1 | 151.82 (12) | C21—C22—C23—C24 | 0.6 (3) |
S2—N2—C2—C3 | −30.6 (2) | C22—C23—C24—C25 | −1.0 (3) |
N1—C1—C2—C3 | 175.20 (14) | C23—C24—C25—C26 | 0.3 (3) |
C6—C1—C2—N2 | 176.53 (14) | C24—C25—C26—C21 | 1.0 (3) |
N1—C1—C2—N2 | −7.2 (2) | | |
Symmetry codes: (i) −x+2, −y+1, −z; (ii) x, −y+3/2, z+1/2; (iii) −x+1, y−1/2, −z+1/2; (iv) −x+1, −y+1, −z; (v) x+1, y, z; (vi) x, −y+3/2, z−1/2; (vii) x−1, y, z; (viii) −x+1, y+1/2, −z+1/2; (ix) x−1, −y+3/2, z+1/2; (x) x+1, −y+3/2, z−1/2; (xi) −x+1, −y+2, −z; (xii) −x+2, y−1/2, −z−1/2; (xiii) −x+2, y+1/2, −z−1/2. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
N1—H1···O2iv | 0.79 (2) | 2.15 (2) | 2.9310 (19) | 169 (2) |
N2—H2···O1 | 0.814 (19) | 2.54 (2) | 3.0288 (18) | 119.6 (16) |
N2—H2···N1 | 0.814 (19) | 2.40 (2) | 2.780 (2) | 109.7 (16) |
N2—H2···O3i | 0.814 (19) | 2.275 (19) | 3.0318 (18) | 154.8 (19) |
C3—H3···O4 | 0.95 | 2.35 | 3.026 (2) | 128 |
C12—H12···O3vii | 0.95 | 2.53 | 3.291 (2) | 137 |
C16—H16···O1 | 0.95 | 2.53 | 2.904 (2) | 104 |
C22—H22···O3i | 0.95 | 2.55 | 3.441 (2) | 157 |
C26—H26···O4 | 0.95 | 2.51 | 2.893 (2) | 104 |
C16—H16···Cg3ii | 0.95 | 2.73 | 3.573 (2) | 148 |
Symmetry codes: (i) −x+2, −y+1, −z; (ii) x, −y+3/2, z+1/2; (iv) −x+1, −y+1, −z; (vii) x−1, y, z. |
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