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The title compound, C18H17NO3S, is the product of an epoxidation reaction, followed by cyclization and hydro­lysis of the resulting epoxide. There are two independent mol­ecules in the asymmetric unit; one has a slightly twisted heterocyclic ring, and the ring in the other is almost planar. Molecules form centrosymmetric pairs through N—H...O=C hydrogen bonds, involving the carbonyl group in the ring.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536802010735/bt6153sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536802010735/bt6153Isup2.hkl
Contains datablock I

CCDC reference: 189904

Key indicators

  • Single-crystal X-ray study
  • T = 160 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.073
  • wR factor = 0.145
  • Data-to-parameter ratio = 15.5

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

General Notes

ABSTM_02 When printed, the submitted absorption T values will be replaced by the scaled T values. Since the ratio of scaled T's is identical to the ratio of reported T values, the scaling does not imply a change to the absorption corrections used in the study. Ratio of Tmax expected/reported 1.053 Tmax scaled 0.985 Tmin scaled 0.889

Computing details top

Data collection: SMART (Siemens, 1995); cell refinement: local programs; data reduction: SAINT (Siemens, 1995); program(s) used to solve structure: SHELXTL (Sheldrick, 1994); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL and local programs.

(4RS,5RS)-4-Benzyl-5-(4-tolylthiocarbonyl)oxazolidin-2-one top
Crystal data top
C18H17NO3SF(000) = 1376
Mr = 327.39Dx = 1.309 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
a = 22.696 (3) ÅCell parameters from 4377 reflections
b = 6.2094 (8) Åθ = 1.7–24.6°
c = 24.555 (3) ŵ = 0.21 mm1
β = 106.205 (3)°T = 160 K
V = 3323.0 (7) Å3Plate, colourless
Z = 80.56 × 0.14 × 0.07 mm
Data collection top
Siemens SMART 1K CCD
diffractometer
6588 independent reflections
Radiation source: sealed tube3940 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.070
Detector resolution: 8.192 pixels mm-1θmax = 26.3°, θmin = 1.7°
ω rotation with narrow frames scansh = 2721
Absorption correction: multi-scan
(XPREP in SHELXTL; Sheldrick, 1994)
k = 77
Tmin = 0.844, Tmax = 0.936l = 2930
16452 measured reflections
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.073H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.145 w = 1/[σ2(Fo2) + (0.0292P)2 + 4.1967P]
where P = (Fo2 + 2Fc2)/3
S = 1.12(Δ/σ)max = 0.006
6588 reflectionsΔρmax = 0.32 e Å3
424 parametersΔρmin = 0.26 e Å3
0 restraintsExtinction correction: SHELXTL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.0014 (2)
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
O10.06024 (12)1.1506 (4)0.04677 (10)0.0480 (7)
C10.03424 (18)1.0806 (6)0.08004 (15)0.0383 (9)
O20.04911 (12)1.1574 (4)0.13487 (10)0.0423 (7)
C20.01549 (18)1.0380 (6)0.16668 (15)0.0417 (10)
H2A0.00491.14090.18700.050*
C30.03426 (19)0.9134 (7)0.12144 (15)0.0437 (10)
H30.07400.99370.11300.052*
N10.00896 (15)0.9309 (5)0.07346 (13)0.0382 (8)
H10.0258 (18)0.893 (7)0.0420 (15)0.046*
C40.0443 (2)0.6825 (7)0.13687 (17)0.0571 (12)
H4A0.05800.68170.17170.069*
H4B0.00480.60400.14510.069*
C50.0914 (2)0.5657 (7)0.09007 (17)0.0509 (12)
C60.1529 (2)0.5690 (9)0.08728 (18)0.0661 (14)
H60.16630.64860.11460.079*
C70.1952 (2)0.4583 (9)0.0453 (2)0.0732 (15)
H70.23750.46170.04400.088*
C80.1761 (2)0.3433 (8)0.0057 (2)0.0637 (14)
H80.20510.26360.02250.076*
C90.1156 (2)0.3428 (7)0.00648 (19)0.0613 (13)
H90.10270.26680.02180.074*
C100.0732 (2)0.4537 (7)0.04873 (19)0.0570 (12)
H100.03110.45300.04940.068*
C110.05887 (18)0.8926 (6)0.20995 (16)0.0436 (10)
O30.04889 (14)0.8368 (5)0.25343 (11)0.0571 (8)
S10.12376 (5)0.81572 (19)0.18834 (4)0.0475 (3)
C120.16347 (18)0.6361 (7)0.24307 (16)0.0426 (10)
C130.17624 (18)0.4320 (7)0.22782 (17)0.0466 (11)
H130.15740.38040.19060.056*
C140.21643 (18)0.3021 (7)0.26665 (16)0.0459 (10)
H140.22510.16170.25550.055*
C150.24450 (18)0.3712 (7)0.32146 (16)0.0433 (10)
C160.2285 (2)0.5747 (7)0.33639 (17)0.0576 (13)
H160.24540.62360.37420.069*
C170.1888 (2)0.7083 (7)0.29780 (17)0.0588 (13)
H170.17920.84760.30880.071*
C180.2917 (2)0.2348 (7)0.36194 (19)0.0618 (13)
H18A0.28510.24110.39970.093*
H18B0.33280.28890.36400.093*
H18C0.28800.08540.34860.093*
O40.44831 (11)0.3418 (4)0.44597 (9)0.0318 (6)
C190.47389 (16)0.4528 (5)0.41827 (13)0.0275 (8)
O50.46145 (11)0.4188 (4)0.36105 (9)0.0341 (6)
C200.49661 (17)0.5672 (5)0.33757 (13)0.0303 (8)
H200.52520.48360.32110.036*
C210.53527 (17)0.7036 (5)0.38864 (13)0.0293 (8)
H210.57960.66570.39580.035*
N20.51271 (14)0.6140 (5)0.43364 (11)0.0303 (7)
H20.5279 (16)0.638 (6)0.4656 (14)0.036*
C220.52799 (17)0.9464 (5)0.38215 (14)0.0346 (9)
H22A0.52930.98650.34350.042*
H22B0.48700.98670.38570.042*
C230.57609 (16)1.0762 (5)0.42464 (14)0.0301 (8)
C240.57951 (17)1.0749 (6)0.48245 (14)0.0347 (9)
H240.55230.98580.49560.042*
C250.62166 (17)1.2007 (6)0.52060 (15)0.0374 (9)
H250.62371.19570.55980.045*
C260.66077 (17)1.3337 (6)0.50213 (15)0.0384 (9)
H260.68901.42360.52820.046*
C270.65852 (17)1.3347 (6)0.44532 (16)0.0381 (9)
H270.68581.42450.43240.046*
C280.61700 (16)1.2066 (6)0.40701 (14)0.0328 (9)
H280.61641.20770.36820.039*
C290.45279 (16)0.6945 (5)0.29055 (13)0.0304 (8)
O60.46932 (12)0.7674 (4)0.25180 (10)0.0397 (7)
S20.37844 (5)0.72526 (15)0.29963 (4)0.0367 (3)
C300.34413 (16)0.8991 (6)0.24202 (14)0.0311 (8)
C310.36731 (18)1.1034 (6)0.23738 (15)0.0374 (9)
H310.40321.15300.26460.045*
C320.33720 (18)1.2334 (6)0.19249 (15)0.0399 (9)
H320.35361.37170.18890.048*
C330.28404 (18)1.1689 (6)0.15260 (15)0.0376 (9)
C340.26172 (17)0.9643 (6)0.15820 (15)0.0383 (9)
H340.22550.91560.13120.046*
C350.29145 (17)0.8297 (6)0.20251 (14)0.0349 (9)
H350.27560.69010.20570.042*
C360.2514 (2)1.3130 (7)0.10403 (16)0.0533 (12)
H36A0.21631.23580.07940.080*
H36B0.27981.35390.08220.080*
H36C0.23691.44270.11900.080*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
O10.0569 (18)0.0559 (18)0.0332 (15)0.0149 (15)0.0160 (13)0.0004 (14)
C10.041 (2)0.043 (2)0.029 (2)0.000 (2)0.0054 (18)0.0016 (18)
O20.0541 (17)0.0428 (16)0.0292 (14)0.0077 (14)0.0105 (12)0.0022 (12)
C20.048 (2)0.049 (2)0.031 (2)0.000 (2)0.0143 (18)0.0030 (19)
C30.047 (2)0.052 (3)0.032 (2)0.004 (2)0.0102 (18)0.0029 (19)
N10.041 (2)0.045 (2)0.0284 (17)0.0081 (17)0.0092 (15)0.0019 (16)
C40.063 (3)0.064 (3)0.037 (2)0.015 (3)0.003 (2)0.015 (2)
C50.054 (3)0.055 (3)0.036 (2)0.017 (2)0.001 (2)0.016 (2)
C60.053 (3)0.101 (4)0.044 (3)0.032 (3)0.014 (2)0.010 (3)
C70.055 (3)0.104 (4)0.062 (3)0.027 (3)0.018 (3)0.010 (3)
C80.064 (3)0.061 (3)0.053 (3)0.016 (3)0.005 (3)0.005 (3)
C90.070 (3)0.049 (3)0.058 (3)0.005 (3)0.005 (3)0.002 (2)
C100.053 (3)0.045 (3)0.064 (3)0.001 (2)0.003 (2)0.006 (2)
C110.051 (3)0.042 (2)0.034 (2)0.009 (2)0.0060 (19)0.0058 (19)
O30.073 (2)0.075 (2)0.0274 (14)0.0062 (18)0.0204 (14)0.0069 (15)
S10.0451 (6)0.0609 (7)0.0373 (6)0.0007 (6)0.0128 (5)0.0044 (5)
C120.041 (2)0.050 (3)0.036 (2)0.002 (2)0.0093 (18)0.006 (2)
C130.047 (3)0.050 (3)0.039 (2)0.012 (2)0.006 (2)0.010 (2)
C140.050 (3)0.042 (2)0.046 (2)0.006 (2)0.013 (2)0.008 (2)
C150.040 (2)0.044 (2)0.043 (2)0.002 (2)0.0068 (19)0.001 (2)
C160.075 (3)0.051 (3)0.036 (2)0.003 (3)0.003 (2)0.011 (2)
C170.075 (3)0.045 (3)0.048 (3)0.009 (2)0.003 (2)0.010 (2)
C180.058 (3)0.056 (3)0.062 (3)0.005 (2)0.002 (2)0.005 (2)
O40.0442 (15)0.0293 (13)0.0219 (12)0.0042 (12)0.0091 (11)0.0034 (11)
C190.038 (2)0.0223 (19)0.0203 (18)0.0092 (17)0.0041 (16)0.0029 (15)
O50.0603 (17)0.0225 (13)0.0189 (12)0.0065 (12)0.0098 (11)0.0026 (10)
C200.047 (2)0.0254 (19)0.0206 (17)0.0051 (17)0.0130 (16)0.0011 (15)
C210.040 (2)0.0280 (19)0.0224 (17)0.0040 (17)0.0120 (16)0.0054 (15)
N20.047 (2)0.0264 (17)0.0174 (14)0.0051 (15)0.0095 (14)0.0030 (13)
C220.048 (2)0.028 (2)0.0280 (19)0.0018 (18)0.0102 (17)0.0011 (16)
C230.038 (2)0.0228 (19)0.0298 (19)0.0044 (17)0.0091 (16)0.0024 (16)
C240.047 (2)0.029 (2)0.032 (2)0.0013 (19)0.0157 (17)0.0034 (17)
C250.046 (2)0.037 (2)0.0262 (19)0.009 (2)0.0063 (17)0.0004 (18)
C260.038 (2)0.038 (2)0.033 (2)0.0019 (19)0.0003 (17)0.0016 (18)
C270.036 (2)0.033 (2)0.048 (2)0.0006 (19)0.0162 (18)0.0072 (19)
C280.043 (2)0.032 (2)0.0265 (18)0.0060 (18)0.0151 (17)0.0035 (17)
C290.047 (2)0.0244 (19)0.0220 (18)0.0019 (17)0.0132 (16)0.0036 (15)
O60.0560 (17)0.0410 (16)0.0271 (13)0.0073 (13)0.0201 (12)0.0094 (12)
S20.0457 (6)0.0365 (6)0.0295 (5)0.0011 (5)0.0131 (4)0.0070 (4)
C300.039 (2)0.031 (2)0.0256 (18)0.0000 (17)0.0119 (16)0.0006 (16)
C310.044 (2)0.031 (2)0.033 (2)0.0030 (19)0.0049 (18)0.0032 (17)
C320.050 (2)0.031 (2)0.042 (2)0.0005 (19)0.0176 (19)0.0034 (18)
C330.046 (2)0.035 (2)0.032 (2)0.0079 (19)0.0124 (18)0.0013 (18)
C340.037 (2)0.046 (2)0.032 (2)0.001 (2)0.0100 (17)0.0066 (19)
C350.044 (2)0.030 (2)0.034 (2)0.0041 (19)0.0168 (18)0.0020 (17)
C360.072 (3)0.048 (3)0.036 (2)0.014 (2)0.009 (2)0.007 (2)
Geometric parameters (Å, º) top
O1—C11.214 (4)O4—C191.223 (4)
C1—O21.379 (4)C19—O51.370 (4)
C1—N11.327 (5)C19—N21.317 (4)
O2—C21.441 (4)O5—C201.441 (4)
C2—H2A1.000C20—H201.000
C2—C31.551 (5)C20—C211.564 (4)
C2—C111.526 (5)C20—C291.519 (4)
C3—H31.000C21—H211.000
C3—N11.452 (5)C21—N21.452 (4)
C3—C41.516 (6)C21—C221.520 (5)
N1—H10.79 (4)N2—H20.78 (3)
C4—H4A0.990C22—H22A0.990
C4—H4B0.990C22—H22B0.990
C4—C51.518 (5)C22—C231.515 (5)
C5—C61.378 (6)C23—C241.400 (5)
C5—C101.386 (6)C23—C281.389 (5)
C6—H60.950C24—H240.950
C6—C71.380 (6)C24—C251.379 (5)
C7—H70.950C25—H250.950
C7—C81.372 (7)C25—C261.378 (5)
C8—H80.950C26—H260.950
C8—C91.368 (6)C26—C271.382 (5)
C9—H90.950C27—H270.950
C9—C101.386 (6)C27—C281.383 (5)
C10—H100.950C28—H280.950
C11—O31.203 (4)C29—O61.204 (4)
C11—S11.765 (4)C29—S21.773 (4)
S1—C121.785 (4)S2—C301.777 (3)
C12—C131.375 (5)C30—C311.390 (5)
C12—C171.381 (5)C30—C351.382 (5)
C13—H130.950C31—H310.950
C13—C141.381 (5)C31—C321.383 (5)
C14—H140.950C32—H320.950
C14—C151.387 (5)C32—C331.384 (5)
C15—C161.391 (6)C33—C341.388 (5)
C15—C181.503 (5)C33—C361.510 (5)
C16—H160.950C34—H340.950
C16—C171.386 (6)C34—C351.388 (5)
C17—H170.950C35—H350.950
C18—H18A0.980C36—H36A0.980
C18—H18B0.980C36—H36B0.980
C18—H18C0.980C36—H36C0.980
O1—C1—O2120.0 (4)O4—C19—O5119.3 (3)
O1—C1—N1130.5 (4)O4—C19—N2130.7 (3)
O2—C1—N1109.4 (3)O5—C19—N2109.9 (3)
C1—O2—C2109.2 (3)C19—O5—C20109.5 (3)
O2—C2—H2A109.3O5—C20—H20108.9
O2—C2—C3105.0 (3)O5—C20—C21106.0 (2)
O2—C2—C11110.2 (3)O5—C20—C29108.6 (3)
H2A—C2—C3109.3H20—C20—C21108.9
H2A—C2—C11109.3H20—C20—C29108.9
C3—C2—C11113.8 (3)C21—C20—C29115.4 (3)
C2—C3—H3109.5C20—C21—H21109.1
C2—C3—N199.8 (3)C20—C21—N299.5 (3)
C2—C3—C4115.0 (3)C20—C21—C22115.6 (3)
H3—C3—N1109.5H21—C21—N2109.1
H3—C3—C4109.5H21—C21—C22109.1
N1—C3—C4113.2 (3)N2—C21—C22114.1 (3)
C1—N1—C3113.6 (3)C19—N2—C21115.0 (3)
C1—N1—H1118 (3)C19—N2—H2120 (3)
C3—N1—H1125 (3)C21—N2—H2123 (3)
C3—C4—H4A109.1C21—C22—H22A108.6
C3—C4—H4B109.1C21—C22—H22B108.6
C3—C4—C5112.7 (3)C21—C22—C23114.8 (3)
H4A—C4—H4B107.8H22A—C22—H22B107.6
H4A—C4—C5109.1H22A—C22—C23108.6
H4B—C4—C5109.1H22B—C22—C23108.6
C4—C5—C6121.4 (4)C22—C23—C24121.4 (3)
C4—C5—C10120.2 (4)C22—C23—C28120.8 (3)
C6—C5—C10118.4 (4)C24—C23—C28117.8 (3)
C5—C6—H6119.5C23—C24—H24119.4
C5—C6—C7121.0 (5)C23—C24—C25121.1 (4)
H6—C6—C7119.5H24—C24—C25119.4
C6—C7—H7120.1C24—C25—H25119.9
C6—C7—C8119.8 (5)C24—C25—C26120.3 (3)
H7—C7—C8120.1H25—C25—C26119.9
C7—C8—H8119.8C25—C26—H26120.3
C7—C8—C9120.4 (5)C25—C26—C27119.3 (3)
H8—C8—C9119.8H26—C26—C27120.3
C8—C9—H9120.2C26—C27—H27119.7
C8—C9—C10119.7 (5)C26—C27—C28120.7 (3)
H9—C9—C10120.2H27—C27—C28119.7
C5—C10—C9120.7 (4)C23—C28—C27120.8 (3)
C5—C10—H10119.7C23—C28—H28119.6
C9—C10—H10119.7C27—C28—H28119.6
C2—C11—O3122.9 (4)C20—C29—O6120.9 (3)
C2—C11—S1112.4 (3)C20—C29—S2113.9 (2)
O3—C11—S1124.7 (3)O6—C29—S2125.2 (3)
C11—S1—C12103.35 (19)C29—S2—C30100.73 (16)
S1—C12—C13118.1 (3)S2—C30—C31121.9 (3)
S1—C12—C17121.0 (3)S2—C30—C35118.1 (3)
C13—C12—C17120.1 (4)C31—C30—C35120.0 (3)
C12—C13—H13120.0C30—C31—H31120.5
C12—C13—C14120.0 (4)C30—C31—C32118.9 (3)
H13—C13—C14120.0H31—C31—C32120.5
C13—C14—H14119.2C31—C32—H32118.8
C13—C14—C15121.7 (4)C31—C32—C33122.3 (4)
H14—C14—C15119.2H32—C32—C33118.8
C14—C15—C16117.0 (4)C32—C33—C34117.7 (3)
C14—C15—C18121.1 (4)C32—C33—C36121.8 (4)
C16—C15—C18121.8 (4)C34—C33—C36120.5 (4)
C15—C16—H16119.0C33—C34—H34119.4
C15—C16—C17122.1 (4)C33—C34—C35121.2 (4)
H16—C16—C17119.0H34—C34—C35119.4
C12—C17—C16119.1 (4)C30—C35—C34119.9 (3)
C12—C17—H17120.5C30—C35—H35120.1
C16—C17—H17120.5C34—C35—H35120.1
C15—C18—H18A109.5C33—C36—H36A109.5
C15—C18—H18B109.5C33—C36—H36B109.5
C15—C18—H18C109.5C33—C36—H36C109.5
H18A—C18—H18B109.5H36A—C36—H36B109.5
H18A—C18—H18C109.5H36A—C36—H36C109.5
H18B—C18—H18C109.5H36B—C36—H36C109.5
O1—C1—O2—C2175.7 (3)O4—C19—O5—C20180.0 (3)
N1—C1—O2—C23.8 (4)N2—C19—O5—C201.7 (4)
C1—O2—C2—C11109.5 (3)C19—O5—C20—C29123.8 (3)
C1—O2—C2—C313.4 (4)C19—O5—C20—C210.8 (3)
O2—C2—C3—N116.7 (4)O5—C20—C21—N22.7 (3)
C11—C2—C3—N1103.9 (4)C29—C20—C21—N2117.5 (3)
O2—C2—C3—C4138.2 (4)O5—C20—C21—C22125.3 (3)
C11—C2—C3—C417.6 (5)C29—C20—C21—C225.1 (4)
O1—C1—N1—C3172.0 (4)O4—C19—N2—C21178.1 (4)
O2—C1—N1—C38.5 (4)O5—C19—N2—C213.9 (4)
C4—C3—N1—C1138.5 (4)C22—C21—N2—C19127.8 (3)
C2—C3—N1—C115.8 (4)C20—C21—N2—C194.0 (4)
N1—C3—C4—C563.7 (5)N2—C21—C22—C2379.4 (4)
C2—C3—C4—C5177.5 (4)C20—C21—C22—C23166.1 (3)
C3—C4—C5—C689.5 (5)C21—C22—C23—C28115.3 (4)
C3—C4—C5—C1090.1 (5)C21—C22—C23—C2466.9 (5)
C10—C5—C6—C71.9 (7)C28—C23—C24—C250.7 (5)
C4—C5—C6—C7178.5 (4)C22—C23—C24—C25177.1 (3)
C5—C6—C7—C80.1 (8)C23—C24—C25—C261.1 (5)
C6—C7—C8—C91.9 (8)C24—C25—C26—C271.9 (5)
C7—C8—C9—C102.0 (7)C25—C26—C27—C280.9 (6)
C6—C5—C10—C91.7 (7)C26—C27—C28—C230.9 (5)
C4—C5—C10—C9178.7 (4)C24—C23—C28—C271.7 (5)
C8—C9—C10—C50.2 (7)C22—C23—C28—C27176.2 (3)
O2—C2—C11—O3152.9 (4)O5—C20—C29—O6152.7 (3)
C3—C2—C11—O389.5 (5)C21—C20—C29—O688.6 (4)
O2—C2—C11—S127.7 (4)O5—C20—C29—S228.2 (3)
C3—C2—C11—S189.9 (3)C21—C20—C29—S290.5 (3)
O3—C11—S1—C123.0 (4)O6—C29—S2—C304.4 (4)
C2—C11—S1—C12176.4 (3)C20—C29—S2—C30174.7 (2)
C11—S1—C12—C13124.0 (3)C29—S2—C30—C35121.9 (3)
C11—S1—C12—C1765.7 (4)C29—S2—C30—C3160.9 (3)
C17—C12—C13—C142.6 (6)C35—C30—C31—C320.7 (5)
S1—C12—C13—C14167.8 (3)S2—C30—C31—C32177.8 (3)
C12—C13—C14—C150.4 (6)C30—C31—C32—C331.3 (6)
C13—C14—C15—C162.4 (6)C31—C32—C33—C341.2 (6)
C13—C14—C15—C18175.4 (4)C31—C32—C33—C36179.6 (4)
C14—C15—C16—C173.2 (7)C32—C33—C34—C350.5 (5)
C18—C15—C16—C17174.6 (4)C36—C33—C34—C35179.7 (3)
C13—C12—C17—C161.8 (7)C31—C30—C35—C340.0 (5)
S1—C12—C17—C16168.3 (4)S2—C30—C35—C34177.2 (3)
C15—C16—C17—C121.2 (7)C33—C34—C35—C300.1 (5)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1—H1···O1i0.79 (4)2.12 (4)2.900 (4)168 (4)
N2—H2···O4ii0.78 (3)2.09 (3)2.853 (3)167 (4)
Symmetry codes: (i) x, y+2, z; (ii) x+1, y+1, z+1.
 

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