In the title compound, C
14H
21N
2+·ClO
4−, the planar vinamidinium chain forms a dihedral angle of 84.0 (1)° with the benzene ring. The molecular packing is stabilized by C—H
O interactions.
Supporting information
CCDC reference: 224413
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (C-C) = 0.007 Å
- R factor = 0.075
- wR factor = 0.272
- Data-to-parameter ratio = 14.7
checkCIF/PLATON results
No syntax errors found
Alert level C
RFACR01_ALERT_3_C The value of the weighted R factor is > 0.25
Weighted R factor given 0.272
PLAT084_ALERT_2_C High R2 Value .................................. 0.27
PLAT128_ALERT_4_C Non-standard setting of Space group P21/c .... P21/a
PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... N2
PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C7
PLAT244_ALERT_4_C Low Solvent U(eq) as Compared to Neighbors .... Cl
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 7
PLAT480_ALERT_4_C Long H...A H-Bond Reported H2 .. O2 .. 2.81 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H12B .. O2 .. 2.75 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H12B .. O3 .. 2.95 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H5 .. O1 .. 2.71 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H5 .. O2 .. 2.84 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H6 .. O1 .. 2.72 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H14A .. O4 .. 2.85 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H8 .. O1 .. 2.93 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H9 .. O1 .. 2.82 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H10A .. O4 .. 2.80 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H13A .. O3 .. 2.94 Ang.
PLAT481_ALERT_4_C Long D...A H-Bond Reported C2 .. O2 .. 3.74 Ang.
PLAT481_ALERT_4_C Long D...A H-Bond Reported C12 .. O3 .. 3.75 Ang.
PLAT481_ALERT_4_C Long D...A H-Bond Reported C14 .. O4 .. 3.80 Ang.
PLAT481_ALERT_4_C Long D...A H-Bond Reported C8 .. O1 .. 3.75 Ang.
PLAT481_ALERT_4_C Long D...A H-Bond Reported C13 .. O3 .. 3.74 Ang.
0 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
23 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
0 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
2 ALERT type 3 Indicator that the structure quality may be low
18 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1992); cell refinement: MSC/AFC Diffractometer Control Software; data reduction: TEXSAN (Molecular Structure Corporation, 1995); program(s) used to solve structure: TEXSAN; 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, 1990).
1-Dimethylamino-3-dimethyliminio-1-(
p-methylphenyl)prop-1-ene perchlorate
top
Crystal data top
C14H21N2+·ClO4− | F(000) = 672 |
Mr = 316.78 | Dx = 1.279 Mg m−3 |
Monoclinic, P21/a | Mo Kα radiation, λ = 0.71069 Å |
Hall symbol: -P 2yab | Cell parameters from 23 reflections |
a = 11.601 (3) Å | θ = 3.5–4.4° |
b = 12.409 (2) Å | µ = 0.25 mm−1 |
c = 12.664 (4) Å | T = 293 K |
β = 115.501 (18)° | Prism, colourless |
V = 1645.4 (8) Å3 | 0.3 × 0.2 × 0.1 mm |
Z = 4 | |
Data collection top
Rigaku AFC-7S diffractometer | Rint = 0.100 |
Radiation source: fine-focus sealed tube | θmax = 25.0°, θmin = 2.4° |
Graphite monochromator | h = 0→13 |
ω/2θ scans | k = 0→14 |
3045 measured reflections | l = −15→13 |
2890 independent reflections | 3 standard reflections every 150 reflections |
1649 reflections with I > 2σ(I) | intensity decay: −10.4% |
Refinement top
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.075 | H-atom parameters constrained |
wR(F2) = 0.272 | w = 1/[σ2(Fo2) + (0.1546P)2 + 0.6164P] where P = (Fo2 + 2Fc2)/3 |
S = 1.08 | (Δ/σ)max = 0.001 |
2890 reflections | Δρmax = 0.42 e Å−3 |
196 parameters | Δρmin = −0.34 e Å−3 |
0 restraints | Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.024 (6) |
Special details top
Geometry. Bond distances, angles etc. have been calculated using the rounded
fractional coordinates. All e.s.d.'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 |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Cl | 0.12016 (11) | 0.05315 (10) | 0.30803 (11) | 0.0833 (5) | |
O1 | 0.0698 (4) | 0.0370 (4) | 0.1861 (3) | 0.1204 (17) | |
O2 | 0.2334 (4) | −0.0085 (4) | 0.3626 (4) | 0.1298 (19) | |
O3 | 0.0295 (5) | 0.0235 (6) | 0.3464 (6) | 0.184 (3) | |
O4 | 0.1529 (5) | 0.1619 (4) | 0.3401 (6) | 0.167 (3) | |
N1 | 0.5578 (3) | 0.2068 (3) | 0.5990 (3) | 0.0693 (11) | |
N2 | 0.3312 (3) | −0.0200 (3) | 0.7511 (4) | 0.0757 (14) | |
C1 | 0.5356 (3) | 0.1663 (3) | 0.6848 (4) | 0.0613 (13) | |
C2 | 0.4400 (4) | 0.0893 (3) | 0.6651 (4) | 0.0640 (14) | |
C3 | 0.4172 (4) | 0.0519 (3) | 0.7572 (4) | 0.0691 (14) | |
C4 | 0.6177 (4) | 0.2060 (3) | 0.8052 (4) | 0.0632 (14) | |
C5 | 0.7372 (4) | 0.1592 (4) | 0.8715 (4) | 0.0729 (16) | |
C6 | 0.8126 (4) | 0.1988 (4) | 0.9822 (4) | 0.0818 (16) | |
C7 | 0.7739 (4) | 0.2824 (4) | 1.0295 (4) | 0.0761 (17) | |
C8 | 0.6550 (5) | 0.3270 (4) | 0.9645 (4) | 0.0853 (19) | |
C9 | 0.5787 (4) | 0.2888 (3) | 0.8544 (4) | 0.0807 (16) | |
C10 | 0.4834 (5) | 0.1744 (4) | 0.4761 (4) | 0.0838 (17) | |
C11 | 0.6599 (5) | 0.2837 (5) | 0.6178 (5) | 0.102 (2) | |
C12 | 0.2501 (5) | −0.0764 (4) | 0.6451 (5) | 0.092 (2) | |
C13 | 0.3169 (6) | −0.0492 (5) | 0.8578 (6) | 0.115 (3) | |
C14 | 0.8576 (6) | 0.3232 (5) | 1.1513 (5) | 0.109 (2) | |
H2 | 0.39174 | 0.06334 | 0.58992 | 0.0766* | |
H3 | 0.46771 | 0.08041 | 0.83071 | 0.0828* | |
H5 | 0.76557 | 0.10198 | 0.84140 | 0.0877* | |
H6 | 0.89200 | 0.16754 | 1.02573 | 0.0982* | |
H8 | 0.62642 | 0.38338 | 0.99537 | 0.1023* | |
H9 | 0.49880 | 0.31961 | 0.81225 | 0.0967* | |
H10A | 0.50858 | 0.21749 | 0.42657 | 0.1255* | |
H10B | 0.49920 | 0.09978 | 0.46713 | 0.1255* | |
H10C | 0.39410 | 0.18481 | 0.45449 | 0.1255* | |
H11A | 0.72366 | 0.25024 | 0.59954 | 0.1520* | |
H11B | 0.62539 | 0.34525 | 0.56820 | 0.1520* | |
H11C | 0.69774 | 0.30628 | 0.69817 | 0.1520* | |
H12A | 0.17102 | −0.09501 | 0.64771 | 0.1378* | |
H12B | 0.23321 | −0.03092 | 0.57877 | 0.1378* | |
H12C | 0.29223 | −0.14092 | 0.63844 | 0.1378* | |
H13A | 0.22938 | −0.04020 | 0.84413 | 0.1719* | |
H13B | 0.34166 | −0.12302 | 0.87744 | 0.1719* | |
H13C | 0.37029 | −0.00351 | 0.92114 | 0.1719* | |
H14A | 0.93011 | 0.27657 | 1.18780 | 0.1631* | |
H14B | 0.88624 | 0.39486 | 1.14655 | 0.1631* | |
H14C | 0.80953 | 0.32415 | 1.19693 | 0.1631* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Cl | 0.0656 (7) | 0.0799 (9) | 0.0978 (10) | −0.0038 (5) | 0.0289 (6) | −0.0203 (6) |
O1 | 0.135 (3) | 0.121 (3) | 0.078 (3) | 0.008 (3) | 0.020 (2) | −0.015 (2) |
O2 | 0.106 (3) | 0.121 (3) | 0.136 (4) | 0.034 (3) | 0.027 (3) | −0.004 (3) |
O3 | 0.127 (4) | 0.257 (7) | 0.202 (6) | −0.056 (4) | 0.102 (4) | −0.034 (5) |
O4 | 0.146 (4) | 0.095 (3) | 0.225 (6) | −0.011 (3) | 0.048 (4) | −0.073 (4) |
N1 | 0.061 (2) | 0.0560 (19) | 0.086 (2) | −0.0113 (15) | 0.0271 (18) | 0.0038 (17) |
N2 | 0.067 (2) | 0.0590 (19) | 0.101 (3) | −0.0014 (18) | 0.036 (2) | 0.0135 (19) |
C1 | 0.054 (2) | 0.0411 (18) | 0.083 (3) | 0.0051 (16) | 0.024 (2) | 0.0024 (18) |
C2 | 0.053 (2) | 0.048 (2) | 0.084 (3) | 0.0023 (16) | 0.023 (2) | 0.0006 (19) |
C3 | 0.057 (2) | 0.053 (2) | 0.091 (3) | 0.0040 (19) | 0.026 (2) | 0.009 (2) |
C4 | 0.053 (2) | 0.049 (2) | 0.084 (3) | −0.0035 (16) | 0.026 (2) | −0.0010 (19) |
C5 | 0.057 (2) | 0.066 (3) | 0.089 (3) | 0.0056 (19) | 0.025 (2) | −0.005 (2) |
C6 | 0.055 (2) | 0.085 (3) | 0.092 (3) | −0.002 (2) | 0.019 (2) | 0.004 (3) |
C7 | 0.074 (3) | 0.070 (3) | 0.079 (3) | −0.018 (2) | 0.028 (2) | −0.005 (2) |
C8 | 0.081 (3) | 0.067 (3) | 0.097 (4) | 0.002 (2) | 0.028 (3) | −0.016 (2) |
C9 | 0.066 (3) | 0.061 (2) | 0.098 (3) | 0.009 (2) | 0.019 (2) | −0.006 (2) |
C10 | 0.083 (3) | 0.084 (3) | 0.075 (3) | −0.019 (3) | 0.025 (3) | −0.004 (2) |
C11 | 0.099 (4) | 0.097 (4) | 0.100 (4) | −0.049 (3) | 0.034 (3) | 0.002 (3) |
C12 | 0.082 (3) | 0.064 (3) | 0.132 (5) | −0.020 (2) | 0.048 (3) | −0.009 (3) |
C13 | 0.103 (4) | 0.118 (5) | 0.134 (5) | −0.016 (3) | 0.061 (4) | 0.034 (4) |
C14 | 0.099 (4) | 0.113 (4) | 0.093 (4) | −0.033 (3) | 0.021 (3) | −0.022 (3) |
Geometric parameters (Å, º) top
Cl—O1 | 1.410 (4) | C3—H3 | 0.9303 |
Cl—O2 | 1.417 (5) | C5—H5 | 0.9305 |
Cl—O3 | 1.385 (7) | C6—H6 | 0.9304 |
Cl—O4 | 1.413 (5) | C8—H8 | 0.9294 |
N1—C1 | 1.319 (6) | C9—H9 | 0.9296 |
N1—C10 | 1.474 (6) | C10—H10A | 0.9604 |
N1—C11 | 1.459 (7) | C10—H10B | 0.9601 |
N2—C3 | 1.316 (6) | C10—H10C | 0.9595 |
N2—C12 | 1.446 (7) | C11—H11A | 0.9593 |
N2—C13 | 1.476 (8) | C11—H11B | 0.9600 |
C1—C2 | 1.402 (6) | C11—H11C | 0.9604 |
C1—C4 | 1.491 (6) | C12—H12A | 0.9603 |
C2—C3 | 1.383 (7) | C12—H12B | 0.9596 |
C4—C5 | 1.401 (7) | C12—H12C | 0.9605 |
C4—C9 | 1.375 (6) | C13—H13A | 0.9602 |
C5—C6 | 1.384 (7) | C13—H13B | 0.9602 |
C6—C7 | 1.367 (7) | C13—H13C | 0.9595 |
C7—C8 | 1.382 (7) | C14—H14A | 0.9598 |
C7—C14 | 1.513 (7) | C14—H14B | 0.9602 |
C8—C9 | 1.375 (7) | C14—H14C | 0.9605 |
C2—H2 | 0.9299 | | |
| | | |
O3···C12i | 3.356 (9) | H2···O2 | 2.8112 |
O4···C12ii | 3.416 (7) | H2···C10 | 2.5352 |
O1···H9iii | 2.8152 | H2···C12 | 2.6803 |
O1···H5iv | 2.7048 | H2···H10B | 2.4178 |
O1···H6v | 2.7196 | H2···H10C | 2.2923 |
O2···H12B | 2.7526 | H2···H12B | 2.1323 |
O2···H5iv | 2.8366 | H3···C4 | 2.4586 |
O2···H2 | 2.8112 | H3···C5 | 3.0994 |
O3···H12Ai | 2.5207 | H3···C9 | 2.8464 |
O4···H10C | 2.5532 | H3···H13C | 2.1881 |
O4···H14Av | 2.8518 | H5···O1iv | 2.7048 |
O4···H12Cii | 2.5134 | H5···O2iv | 2.8366 |
O4···H10Avi | 2.7966 | H6···O1x | 2.7196 |
C2···C11vi | 3.424 (8) | H6···H14A | 2.3361 |
C3···C9 | 3.418 (6) | H9···O1ii | 2.8152 |
C3···C11vi | 3.413 (8) | H10A···H11A | 2.5462 |
C5···C11 | 3.322 (8) | H10A···H11B | 2.3396 |
C6···C13vii | 3.526 (9) | H10A···O4viii | 2.7966 |
C7···C13vii | 3.580 (8) | H10B···C2 | 2.8734 |
C9···C3 | 3.418 (6) | H10B···H2 | 2.4178 |
C9···C11 | 3.507 (8) | H10C···O4 | 2.5532 |
C11···C2viii | 3.424 (8) | H10C···C2 | 2.7530 |
C11···C9 | 3.507 (8) | H10C···H2 | 2.2923 |
C11···C3viii | 3.413 (8) | H11A···H10A | 2.5462 |
C11···C5 | 3.322 (8) | H11A···C2viii | 3.0263 |
C12···O3i | 3.356 (9) | H11B···H10A | 2.3396 |
C12···O4iii | 3.416 (7) | H11B···H12Bviii | 2.5974 |
C13···C6vii | 3.526 (9) | H11C···C4 | 2.3090 |
C13···C7vii | 3.580 (8) | H11C···C5 | 2.7375 |
C2···H10B | 2.8734 | H11C···C9 | 2.8673 |
C2···H12B | 2.6301 | H11C···C3viii | 2.9153 |
C2···H11Avi | 3.0263 | H12A···H13A | 2.3787 |
C2···H10C | 2.7530 | H12A···O3i | 2.5207 |
C3···H14Bix | 2.8442 | H12B···O2 | 2.7526 |
C3···H11Cvi | 2.9153 | H12B···C2 | 2.6301 |
C4···H3 | 2.4586 | H12B···H2 | 2.1323 |
C4···H11C | 2.3090 | H12B···H11Bvi | 2.5974 |
C5···H11C | 2.7375 | H12C···O4iii | 2.5134 |
C5···H3 | 3.0994 | H13A···H12A | 2.3787 |
C7···H13Bvii | 2.9083 | H13B···C7vii | 2.9083 |
C9···H3 | 2.8464 | H13C···H3 | 2.1881 |
C9···H11C | 2.8673 | H14A···O4x | 2.8518 |
C10···H2 | 2.5352 | H14A···H6 | 2.3361 |
C12···H2 | 2.6803 | H14B···C3xi | 2.8442 |
| | | |
O1—Cl—O2 | 108.5 (3) | C7—C8—H8 | 119.76 |
O1—Cl—O3 | 109.1 (4) | C9—C8—H8 | 119.71 |
O1—Cl—O4 | 112.6 (4) | C4—C9—H9 | 119.23 |
O2—Cl—O3 | 111.7 (4) | C8—C9—H9 | 119.21 |
O2—Cl—O4 | 107.3 (3) | N1—C10—H10A | 109.47 |
O3—Cl—O4 | 107.7 (4) | N1—C10—H10B | 109.46 |
C1—N1—C10 | 122.2 (4) | N1—C10—H10C | 109.51 |
C1—N1—C11 | 123.2 (4) | H10A—C10—H10B | 109.42 |
C10—N1—C11 | 114.6 (4) | H10A—C10—H10C | 109.47 |
C3—N2—C12 | 123.8 (4) | H10B—C10—H10C | 109.50 |
C3—N2—C13 | 119.6 (5) | N1—C11—H11A | 109.50 |
C12—N2—C13 | 116.5 (4) | N1—C11—H11B | 109.46 |
N1—C1—C2 | 122.2 (4) | N1—C11—H11C | 109.41 |
N1—C1—C4 | 116.8 (4) | H11A—C11—H11B | 109.53 |
C2—C1—C4 | 121.0 (4) | H11A—C11—H11C | 109.49 |
C1—C2—C3 | 120.2 (4) | H11B—C11—H11C | 109.44 |
N2—C3—C2 | 126.4 (4) | N2—C12—H12A | 109.51 |
C1—C4—C5 | 120.5 (4) | N2—C12—H12B | 109.52 |
C1—C4—C9 | 121.3 (4) | N2—C12—H12C | 109.44 |
C5—C4—C9 | 118.2 (4) | H12A—C12—H12B | 109.48 |
C4—C5—C6 | 119.4 (4) | H12A—C12—H12C | 109.41 |
C5—C6—C7 | 122.0 (5) | H12B—C12—H12C | 109.47 |
C6—C7—C8 | 118.4 (4) | N2—C13—H13A | 109.47 |
C6—C7—C14 | 120.9 (5) | N2—C13—H13B | 109.42 |
C8—C7—C14 | 120.8 (5) | N2—C13—H13C | 109.50 |
C7—C8—C9 | 120.5 (5) | H13A—C13—H13B | 109.44 |
C4—C9—C8 | 121.6 (5) | H13A—C13—H13C | 109.50 |
C1—C2—H2 | 119.97 | H13B—C13—H13C | 109.49 |
C3—C2—H2 | 119.86 | C7—C14—H14A | 109.51 |
N2—C3—H3 | 116.85 | C7—C14—H14B | 109.49 |
C2—C3—H3 | 116.72 | C7—C14—H14C | 109.48 |
C4—C5—H5 | 120.28 | H14A—C14—H14B | 109.47 |
C6—C5—H5 | 120.33 | H14A—C14—H14C | 109.46 |
C5—C6—H6 | 119.00 | H14B—C14—H14C | 109.42 |
C7—C6—H6 | 119.01 | | |
| | | |
C10—N1—C1—C2 | 0.3 (6) | C1—C2—C3—N2 | −179.8 (4) |
C11—N1—C1—C2 | −177.5 (4) | C1—C4—C5—C6 | 178.8 (4) |
C10—N1—C1—C4 | −180.0 (4) | C5—C4—C9—C8 | 1.4 (7) |
C11—N1—C1—C4 | 2.3 (6) | C1—C4—C9—C8 | −178.8 (4) |
C12—N2—C3—C2 | 3.6 (7) | C9—C4—C5—C6 | −1.4 (7) |
C13—N2—C3—C2 | −178.4 (5) | C4—C5—C6—C7 | 0.2 (8) |
N1—C1—C4—C9 | 95.5 (5) | C5—C6—C7—C8 | 0.9 (8) |
C2—C1—C4—C5 | 95.1 (6) | C5—C6—C7—C14 | 179.3 (5) |
N1—C1—C4—C5 | −84.7 (5) | C14—C7—C8—C9 | −179.2 (5) |
C2—C1—C4—C9 | −84.7 (5) | C6—C7—C8—C9 | −0.9 (8) |
N1—C1—C2—C3 | −177.7 (4) | C7—C8—C9—C4 | −0.3 (8) |
C4—C1—C2—C3 | 2.5 (6) | | |
Symmetry codes: (i) −x, −y, −z+1; (ii) −x+1/2, y+1/2, −z+1; (iii) −x+1/2, y−1/2, −z+1; (iv) −x+1, −y, −z+1; (v) x−1, y, z−1; (vi) x−1/2, −y+1/2, z; (vii) −x+1, −y, −z+2; (viii) x+1/2, −y+1/2, z; (ix) −x+3/2, y−1/2, −z+2; (x) x+1, y, z+1; (xi) −x+3/2, y+1/2, −z+2. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
C2—H2···O2 | 0.93 | 2.81 | 3.740 (6) | 177 |
C10—H10C···O4 | 0.96 | 2.55 | 3.465 (9) | 159 |
C12—H12B···O2 | 0.96 | 2.75 | 3.599 (9) | 147 |
C12—H12B···O3 | 0.96 | 2.95 | 3.750 (8) | 141 |
C5—H5···O1iv | 0.93 | 2.71 | 3.589 (7) | 159 |
C5—H5···O2iv | 0.93 | 2.84 | 3.643 (8) | 146 |
C6—H6···O1x | 0.93 | 2.72 | 3.601 (6) | 158 |
C14—H14A···O4x | 0.96 | 2.85 | 3.796 (8) | 168 |
C8—H8···O1xii | 0.93 | 2.93 | 3.754 (8) | 148 |
C9—H9···O1ii | 0.93 | 2.82 | 3.458 (6) | 127 |
C10—H10A···O4viii | 0.96 | 2.80 | 3.725 (10) | 163 |
C13—H13A···O3i | 0.96 | 2.94 | 3.740 (8) | 142 |
C12—H12A···O3i | 0.96 | 2.52 | 3.356 (9) | 145 |
C12—H12C···O4iii | 0.96 | 2.51 | 3.416 (7) | 156 |
Symmetry codes: (i) −x, −y, −z+1; (ii) −x+1/2, y+1/2, −z+1; (iii) −x+1/2, y−1/2, −z+1; (iv) −x+1, −y, −z+1; (viii) x+1/2, −y+1/2, z; (x) x+1, y, z+1; (xii) x+1/2, −y+1/2, z+1. |