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The title compound, C8H15NO7, the meth­yl carbamate of β-D-glucosa­mine has been synthesized, in moderate yield, from the reaction of β-D-glucosa­mine hydro­chloride and meth­yl chloro­formate. There are two crystallographically independent mol­ecules in the asymmetric unit. In both mol­ecules, the pyran­ose ring adopts a slightly distorted chair conformation. In the crystal structure, mol­ecules are packed along the a axis, with intra- and inter­molecular O—H...O, N—H...O and C—H...O hydrogen bonds.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805020374/wn6361sup1.cif
Contains datablocks global, II

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805020374/wn6361IIsup2.hkl
Contains datablock II

CCDC reference: 282688

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.030
  • wR factor = 0.078
  • Data-to-parameter ratio = 6.4

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT063_ALERT_3_C Crystal Probably too Large for Beam Size ....... 0.64 mm PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT089_ALERT_3_C Poor Data / Parameter Ratio (Zmax .LT. 18) ..... 6.43 PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature . 293 K PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.44 Ratio PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 15 PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C8 H15 N O7
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 25.99 From the CIF: _reflns_number_total 2082 Count of symmetry unique reflns 2091 Completeness (_total/calc) 99.57% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 0 Fraction of Friedel pairs measured 0.000 Are heavy atom types Z>Si present no
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 9 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 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 4 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Siemens, 1996); cell refinement: SAINT (Siemens, 1996); data reduction: SAINT; program(s) used to solve structure: SHELXTL97 (Sheldrick, 1997); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL, PARST (Nardelli, 1995) and PLATON (Spek, 2003).

(1,3,4,-Tri-hydroxy-6-hydroxymethyl-tetrahydropyran-2-yl)methyl carbamate top
Crystal data top
C8H15NO7Dx = 1.526 Mg m3
Mr = 237.21Melting point: 469K K
Monoclinic, P21Mo Kα radiation, λ = 0.71073 Å
a = 6.5236 (5) ÅCell parameters from 5705 reflections
b = 17.5861 (14) Åθ = 2.3–25.0°
c = 9.0279 (7) ŵ = 0.14 mm1
β = 94.710 (1)°T = 293 K
V = 1032.23 (14) Å3Block, colorless
Z = 40.64 × 0.56 × 0.14 mm
F(000) = 504
Data collection top
Siemens SMART CCD area detector
diffractometer
2082 independent reflections
Radiation source: fine-focus sealed tube2033 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.023
Detector resolution: 8.33 pixels mm-1θmax = 26.0°, θmin = 2.3°
ω scansh = 87
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
k = 2115
Tmin = 0.919, Tmax = 0.981l = 1011
5804 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)] = 0.030H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.078 w = 1/[σ2(Fo2) + (0.0456P)2 + 0.1323P]
where P = (Fo2 + 2Fc2)/3
S = 1.08(Δ/σ)max < 0.001
2082 reflectionsΔρmax = 0.25 e Å3
324 parametersΔρmin = 0.20 e Å3
1 restraintExtinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.016 (3)
Special details top

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.

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
xyzUiso*/Ueq
O10.1901 (2)0.21058 (9)0.89632 (18)0.0329 (4)
O1A0.6635 (2)0.43488 (10)0.65538 (18)0.0341 (4)
O20.4281 (3)0.14229 (11)1.0082 (2)0.0395 (4)
O2A0.9212 (3)0.50223 (11)0.77491 (19)0.0407 (4)
O30.0835 (3)0.01876 (10)0.73592 (19)0.0371 (4)
O3A0.3312 (3)0.62243 (12)0.5115 (2)0.0495 (5)
O40.3083 (2)0.15884 (10)0.75931 (19)0.0380 (4)
O4A0.1298 (3)0.47427 (12)0.5273 (2)0.0403 (4)
O50.0783 (3)0.30173 (12)0.6584 (2)0.0492 (5)
O5A0.4840 (3)0.28268 (11)0.6333 (3)0.0495 (5)
O60.5117 (3)0.02769 (11)0.81478 (19)0.0410 (4)
O6A0.9574 (3)0.67193 (15)0.6074 (2)0.0572 (6)
N10.2127 (3)0.00330 (11)0.9479 (2)0.0328 (4)
H1A0.12430.01151.01780.039*
N1A0.6749 (3)0.64129 (12)0.7247 (2)0.0361 (4)
H1AA0.60020.65420.79480.043*
C10.2251 (3)0.14186 (14)0.9715 (2)0.0304 (4)
H1B0.13380.13991.06320.036*
C1A0.7096 (3)0.50187 (13)0.7385 (2)0.0317 (5)
H1AB0.63900.50010.83020.038*
C20.1771 (3)0.07451 (13)0.8734 (2)0.0279 (4)
H2B0.26740.07690.78130.033*
C2A0.6309 (3)0.57059 (13)0.6459 (2)0.0306 (5)
H2AB0.69940.57140.55320.037*
C30.0465 (3)0.07899 (12)0.8346 (2)0.0270 (4)
H3B0.13670.07230.92600.032*
C3A0.3998 (3)0.56272 (14)0.6080 (2)0.0320 (5)
H3AB0.33020.56670.69980.038*
C40.0912 (3)0.15594 (12)0.7678 (2)0.0278 (4)
H4B0.02110.15990.66790.033*
C4A0.3477 (3)0.48620 (14)0.5358 (2)0.0315 (5)
H4AB0.39420.48560.43530.038*
C50.0215 (3)0.22030 (13)0.8653 (2)0.0309 (5)
H5B0.10690.21940.95980.037*
C5A0.4473 (3)0.42094 (14)0.6247 (2)0.0311 (5)
H5AB0.38340.41640.71890.037*
C60.0364 (4)0.29821 (14)0.7981 (3)0.0404 (6)
H6A0.01540.33580.86430.048*
H6B0.17930.31000.78610.048*
C6A0.4269 (4)0.34606 (15)0.5426 (3)0.0415 (6)
H6AA0.28540.33980.50240.050*
H6AB0.51250.34740.45970.050*
C70.3762 (3)0.04003 (13)0.9127 (2)0.0288 (4)
C7A0.8281 (4)0.68702 (14)0.6916 (2)0.0345 (5)
O70.3721 (3)0.10162 (11)1.0010 (2)0.0441 (5)
O7A0.8224 (3)0.75307 (11)0.7663 (2)0.0459 (4)
C80.5411 (5)0.15386 (18)0.9756 (4)0.0547 (8)
H8A0.52990.19301.04990.082*
H8B0.53780.17640.87900.082*
H8C0.66840.12700.98110.082*
C8A0.9950 (6)0.8032 (2)0.7524 (4)0.0632 (9)
H8AB0.96920.85120.79800.095*
H8AA1.01380.81090.64910.095*
H8AC1.11700.78080.80080.095*
H2A0.496 (5)0.146 (2)0.929 (4)0.048 (9)*
H2AA0.997 (5)0.498 (2)0.693 (4)0.058 (10)*
H3A0.209 (5)0.0086 (19)0.749 (3)0.048 (8)*
H3AA0.230 (6)0.640 (2)0.538 (4)0.066 (12)*
H4A0.349 (5)0.197 (2)0.707 (4)0.051 (9)*
H4AA0.077 (6)0.491 (2)0.454 (5)0.066 (11)*
H5A0.098 (8)0.350 (4)0.634 (6)0.110 (17)*
H5AA0.609 (7)0.282 (2)0.644 (4)0.060 (10)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
O10.0269 (8)0.0301 (8)0.0425 (9)0.0007 (6)0.0083 (6)0.0000 (6)
O1A0.0254 (8)0.0333 (8)0.0430 (9)0.0003 (6)0.0019 (6)0.0011 (7)
O20.0320 (9)0.0503 (11)0.0376 (9)0.0011 (8)0.0110 (7)0.0009 (8)
O2A0.0301 (8)0.0512 (11)0.0394 (9)0.0023 (7)0.0063 (7)0.0030 (8)
O30.0273 (8)0.0368 (9)0.0462 (9)0.0036 (7)0.0028 (6)0.0127 (7)
O3A0.0402 (11)0.0479 (12)0.0601 (12)0.0094 (9)0.0031 (9)0.0172 (9)
O40.0238 (8)0.0395 (10)0.0516 (10)0.0000 (7)0.0083 (7)0.0112 (8)
O4A0.0258 (8)0.0550 (11)0.0388 (9)0.0042 (8)0.0044 (7)0.0076 (8)
O50.0431 (10)0.0399 (11)0.0645 (13)0.0050 (8)0.0041 (9)0.0169 (9)
O5A0.0319 (10)0.0351 (9)0.0820 (14)0.0036 (8)0.0071 (9)0.0066 (9)
O60.0307 (8)0.0462 (10)0.0442 (9)0.0036 (8)0.0081 (7)0.0055 (8)
O6A0.0497 (11)0.0667 (14)0.0584 (12)0.0169 (10)0.0236 (9)0.0097 (10)
N10.0276 (9)0.0327 (10)0.0365 (9)0.0037 (8)0.0071 (7)0.0063 (8)
N1A0.0362 (11)0.0357 (11)0.0378 (9)0.0041 (9)0.0114 (8)0.0047 (9)
C10.0270 (10)0.0346 (11)0.0296 (10)0.0014 (9)0.0021 (8)0.0006 (9)
C1A0.0279 (11)0.0363 (12)0.0307 (10)0.0032 (9)0.0000 (8)0.0003 (9)
C20.0250 (10)0.0288 (10)0.0292 (9)0.0025 (8)0.0017 (7)0.0024 (8)
C2A0.0272 (10)0.0334 (12)0.0317 (10)0.0033 (9)0.0052 (8)0.0010 (9)
C30.0232 (10)0.0279 (10)0.0289 (9)0.0004 (8)0.0036 (7)0.0019 (8)
C3A0.0272 (10)0.0354 (12)0.0335 (10)0.0016 (9)0.0039 (8)0.0041 (9)
C40.0226 (10)0.0309 (11)0.0296 (9)0.0007 (8)0.0009 (7)0.0011 (9)
C4A0.0245 (10)0.0419 (13)0.0278 (9)0.0026 (9)0.0011 (7)0.0032 (9)
C50.0235 (10)0.0337 (12)0.0354 (11)0.0022 (9)0.0008 (8)0.0024 (9)
C5A0.0256 (11)0.0357 (12)0.0318 (10)0.0045 (9)0.0010 (8)0.0009 (9)
C60.0316 (12)0.0312 (13)0.0591 (15)0.0021 (10)0.0090 (11)0.0007 (11)
C6A0.0383 (13)0.0392 (14)0.0460 (13)0.0039 (10)0.0023 (10)0.0038 (11)
C70.0274 (10)0.0293 (11)0.0300 (10)0.0019 (9)0.0040 (8)0.0005 (8)
C7A0.0311 (11)0.0395 (13)0.0321 (11)0.0034 (9)0.0019 (8)0.0029 (9)
O70.0408 (10)0.0397 (10)0.0500 (10)0.0144 (8)0.0073 (8)0.0129 (8)
O7A0.0508 (11)0.0374 (10)0.0488 (10)0.0108 (8)0.0003 (8)0.0049 (8)
C80.0516 (17)0.0474 (17)0.0644 (18)0.0222 (14)0.0002 (13)0.0076 (14)
C8A0.067 (2)0.0533 (18)0.0658 (19)0.0277 (16)0.0146 (16)0.0060 (15)
Geometric parameters (Å, º) top
O1—C11.414 (3)C1A—H1AB0.9800
O1—C51.441 (2)C2—C31.530 (3)
O1A—C1A1.416 (3)C2—H2B0.9800
O1A—C5A1.436 (3)C2A—C3A1.525 (3)
O2—C11.391 (3)C2A—H2AB0.9800
O2—H2A0.82 (3)C3—C41.519 (3)
O2A—C1A1.392 (3)C3—H3B0.9800
O2A—H2AA0.93 (4)C3A—C4A1.522 (3)
O3—C31.418 (3)C3A—H3AB0.9800
O3—H3A0.84 (3)C4—C51.526 (3)
O3A—C3A1.413 (3)C4—H4B0.9800
O3A—H3AA0.78 (4)C4A—C5A1.516 (3)
O4—C41.426 (2)C4A—H4AB0.9800
O4—H4A0.88 (4)C5—C61.505 (3)
O4A—C4A1.432 (3)C5—H5B0.9800
O4A—H4AA0.78 (4)C5A—C6A1.512 (3)
O5—C61.414 (3)C5A—H5AB0.9800
O5—H5A0.88 (6)C6—H6A0.9700
O5A—C6A1.415 (3)C6—H6B0.9700
O5A—H5AA0.81 (4)C6A—H6AA0.9700
O6—C71.217 (3)C6A—H6AB0.9700
O6A—C7A1.210 (3)C7—O71.344 (3)
N1—C71.328 (3)C7A—O7A1.345 (3)
N1—C21.449 (3)O7—C81.439 (3)
N1—H1A0.8600O7A—C8A1.444 (4)
N1A—C7A1.336 (3)C8—H8A0.9600
N1A—C2A1.450 (3)C8—H8B0.9600
N1A—H1AA0.8600C8—H8C0.9600
C1—C21.526 (3)C8A—H8AB0.9600
C1—H1B0.9800C8A—H8AA0.9600
C1A—C2A1.534 (3)C8A—H8AC0.9600
C1—O1—C5112.95 (17)C3—C4—C5110.83 (17)
C1A—O1A—C5A114.01 (17)O4—C4—H4B109.8
C1—O2—H2A105 (2)C3—C4—H4B109.8
C1A—O2A—H2AA113 (2)C5—C4—H4B109.8
C3—O3—H3A107 (2)O4A—C4A—C5A107.31 (18)
C3A—O3A—H3AA110 (3)O4A—C4A—C3A109.8 (2)
C4—O4—H4A114 (2)C5A—C4A—C3A111.82 (17)
C4A—O4A—H4AA111 (3)O4A—C4A—H4AB109.3
C6—O5—H5A109 (3)C5A—C4A—H4AB109.3
C6A—O5A—H5AA108 (3)C3A—C4A—H4AB109.3
C7—N1—C2122.78 (18)O1—C5—C6106.32 (18)
C7—N1—H1A118.6O1—C5—C4111.09 (17)
C2—N1—H1A118.6C6—C5—C4114.22 (19)
C7A—N1A—C2A121.83 (19)O1—C5—H5B108.3
C7A—N1A—H1AA119.1C6—C5—H5B108.3
C2A—N1A—H1AA119.1C4—C5—H5B108.3
O2—C1—O1107.72 (18)O1A—C5A—C6A106.77 (19)
O2—C1—C2112.78 (18)O1A—C5A—C4A110.14 (17)
O1—C1—C2109.63 (16)C6A—C5A—C4A112.54 (18)
O2—C1—H1B108.9O1A—C5A—H5AB109.1
O1—C1—H1B108.9C6A—C5A—H5AB109.1
C2—C1—H1B108.9C4A—C5A—H5AB109.1
O2A—C1A—O1A106.99 (18)O5—C6—C5110.7 (2)
O2A—C1A—C2A113.95 (19)O5—C6—H6A109.5
O1A—C1A—C2A108.63 (17)C5—C6—H6A109.5
O2A—C1A—H1AB109.1O5—C6—H6B109.5
O1A—C1A—H1AB109.1C5—C6—H6B109.5
C2A—C1A—H1AB109.1H6A—C6—H6B108.1
N1—C2—C1110.68 (17)O5A—C6A—C5A113.2 (2)
N1—C2—C3110.06 (18)O5A—C6A—H6AA108.9
C1—C2—C3109.75 (17)C5A—C6A—H6AA108.9
N1—C2—H2B108.8O5A—C6A—H6AB108.9
C1—C2—H2B108.8C5A—C6A—H6AB108.9
C3—C2—H2B108.8H6AA—C6A—H6AB107.7
N1A—C2A—C3A109.88 (19)O6—C7—N1126.3 (2)
N1A—C2A—C1A111.35 (17)O6—C7—O7123.5 (2)
C3A—C2A—C1A109.34 (18)N1—C7—O7110.13 (19)
N1A—C2A—H2AB108.7O6A—C7A—N1A125.6 (2)
C3A—C2A—H2AB108.7O6A—C7A—O7A123.6 (2)
C1A—C2A—H2AB108.7N1A—C7A—O7A110.8 (2)
O3—C3—C4111.58 (17)C7—O7—C8116.3 (2)
O3—C3—C2108.68 (17)C7A—O7A—C8A115.4 (2)
C4—C3—C2110.76 (17)O7—C8—H8A109.5
O3—C3—H3B108.6O7—C8—H8B109.5
C4—C3—H3B108.6H8A—C8—H8B109.5
C2—C3—H3B108.6O7—C8—H8C109.5
O3A—C3A—C4A110.17 (19)H8A—C8—H8C109.5
O3A—C3A—C2A109.15 (19)H8B—C8—H8C109.5
C4A—C3A—C2A111.01 (19)O7A—C8A—H8AB109.5
O3A—C3A—H3AB108.8O7A—C8A—H8AA109.5
C4A—C3A—H3AB108.8H8AB—C8A—H8AA109.5
C2A—C3A—H3AB108.8O7A—C8A—H8AC109.5
O4—C4—C3106.10 (17)H8AB—C8A—H8AC109.5
O4—C4—C5110.44 (17)H8AA—C8A—H8AC109.5
C5—O1—C1—O2174.20 (17)O3A—C3A—C4A—O4A69.9 (2)
C5—O1—C1—C262.7 (2)C2A—C3A—C4A—O4A169.06 (17)
C5A—O1A—C1A—O2A172.61 (17)O3A—C3A—C4A—C5A171.10 (19)
C5A—O1A—C1A—C2A64.0 (2)C2A—C3A—C4A—C5A50.1 (2)
C7—N1—C2—C1104.2 (2)C1—O1—C5—C6175.19 (18)
C7—N1—C2—C3134.3 (2)C1—O1—C5—C460.0 (2)
O2—C1—C2—N159.7 (2)O4—C4—C5—O1169.95 (17)
O1—C1—C2—N1179.75 (17)C3—C4—C5—O152.7 (2)
O2—C1—C2—C3178.58 (18)O4—C4—C5—C669.8 (2)
O1—C1—C2—C358.6 (2)C3—C4—C5—C6172.92 (18)
C7A—N1A—C2A—C3A135.4 (2)C1A—O1A—C5A—C6A177.32 (18)
C7A—N1A—C2A—C1A103.3 (2)C1A—O1A—C5A—C4A60.2 (2)
O2A—C1A—C2A—N1A60.5 (2)O4A—C4A—C5A—O1A171.89 (18)
O1A—C1A—C2A—N1A179.61 (17)C3A—C4A—C5A—O1A51.5 (2)
O2A—C1A—C2A—C3A177.94 (18)O4A—C4A—C5A—C6A69.1 (2)
O1A—C1A—C2A—C3A58.8 (2)C3A—C4A—C5A—C6A170.5 (2)
N1—C2—C3—O361.7 (2)O1—C5—C6—O565.9 (2)
C1—C2—C3—O3176.26 (17)C4—C5—C6—O556.9 (3)
N1—C2—C3—C4175.40 (17)O1A—C5A—C6A—O5A70.2 (3)
C1—C2—C3—C453.3 (2)C4A—C5A—C6A—O5A168.9 (2)
N1A—C2A—C3A—O3A62.8 (2)C2—N1—C7—O61.7 (4)
C1A—C2A—C3A—O3A174.73 (19)C2—N1—C7—O7178.8 (2)
N1A—C2A—C3A—C4A175.59 (17)C2A—N1A—C7A—O6A8.5 (4)
C1A—C2A—C3A—C4A53.1 (2)C2A—N1A—C7A—O7A172.29 (19)
O3—C3—C4—O468.3 (2)O6—C7—O7—C80.7 (4)
C2—C3—C4—O4170.49 (16)N1—C7—O7—C8179.8 (2)
O3—C3—C4—C5171.79 (17)O6A—C7A—O7A—C8A6.3 (4)
C2—C3—C4—C550.6 (2)N1A—C7A—O7A—C8A173.0 (2)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1A—H1AA···O2i0.862.193.007 (3)159
N1—H1A···O2Aii0.862.223.016 (3)155
O2—H2A···O4iii0.81 (4)1.93 (4)2.731 (2)171 (3)
O3—H3A···O6iv0.84 (3)1.98 (3)2.800 (3)168 (3)
O4—H4A···O5A0.87 (4)1.89 (3)2.750 (3)166 (3)
O5—H5A···O1Aiii0.88 (7)2.18 (6)2.883 (3)137 (5)
O2A—H2AA···O4Aiv0.93 (3)1.84 (4)2.755 (3)171 (3)
O3A—H3AA···O6Aiii0.78 (4)2.01 (4)2.793 (3)173 (4)
O4A—H4AA···O3v0.78 (4)1.99 (4)2.766 (3)171 (4)
O5A—H5AA···O5iv0.81 (5)2.06 (5)2.865 (3)169 (4)
C2—H2B···O60.982.472.843 (3)102
C2A—H2AB···O6A0.982.462.821 (3)101
C4—H4B···O50.982.582.931 (3)101
C4—H4B···O6Avi0.982.513.388 (3)149
C4A—H4AB···O6v0.982.453.432 (3)175
C5—H5B···O7Aii0.982.553.446 (3)152
C5A—H5AB···O7i0.982.563.477 (3)157
C6—H6B···O5A0.972.563.395 (3)144
C6A—H6AA···O4A0.972.592.969 (3)103
C8—H8A···O1vii0.962.573.229 (4)126
Symmetry codes: (i) x, y+1/2, z+2; (ii) x+1, y1/2, z+2; (iii) x1, y, z; (iv) x+1, y, z; (v) x, y+1/2, z+1; (vi) x+1, y1/2, z+1; (vii) x1, y1/2, z+2.
 

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