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Acta Cryst. (2009). E65, m95    [ doi:10.1107/S1600536808041858 ]

(2,4-Di-tert-butyl-6-{(E)-[(E)-2-(2-methoxybenzylideneamino)cyclohexyl]iminomethyl}phenolato)dimethylaluminum(III)

J.-C. Wu

Abstract top

The title compound, [Al(CH3)2(C29H39N2O2)], exhibits disorder of one of the tert-butyl groups on the Schiff base ligand, where each methyl group is located over two sites, with occupancy factors of 0.57 (1) and 0.43 (1). The geometry around the AlIII atom is distorted tetrahedral, defined by two methyl groups, one N and one O atom from the Schiff base ligand.

Comment top

In past decades, significant advance has been made in polymerization of cyclic esters, such as poly-ε-caprolactone (Endo et al., 1987) and polylactide (Wu et al., 2006). A particularly convenient method for the synthesis of polylactides is the ring-opening polymerization (ROP) of lactides. Due to the advantages of well controlled molecular weight and low polydispersity, many metal complexes have been used to polymerize lactides through ROP process. Here, we report a new aluminium complex, which can be used for the investigation of ROP of lactide.

In the title compound, the AlIII atom is coordinated in a tetrahedral coordination geometry by two methyl groups, one O atom and one N atom from the Schiff base ligand (Fig. 1). The Al1—O1 distance of 1.7497 (13) Å is shorter than that of Al1—N1 [1.9705 (14) Å], while two Al—C distances are almost identical (Table 1).

Related literature top

For general background, see: Endo et al. (1987); Wu et al. (2006).

Experimental top

The title aluminium complex was prepared as following. The Schiff base ligand (1 mmol) was dissolved in toluene (20 ml), and then trimethylaluminum (1.2 mmol) in hexane solution (0.6 ml, 2M) was added slowly. The mixture was stirred and refluxed for 5 h. Then volatile materials were removed under vacuum. The residue was recrystallized in toluene to give yellow crystalline solid (yield: 92%, 0.46 g).

Refinement top

H atoms were positioned geometrically and refined using a riding model, with C—H = 0.93 (aromatic), 0.98 (CH), 0.97 (CH2) and 0.96 (CH3) Å and with Uiso(H) = 1.2(1.5 for methyl group)Ueq(C). One of the tert-butyl groups shows a positional disorder over two sites, with occupancy factors of 0.57 (1) and 0.43 (1), respectively.

Computing details top

Data collection: SMART (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT (Bruker, 2007); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top
[Figure 1] Fig. 1. Molecular structure of the title compound. Displacement ellipsoids are drawn at the 30% probability level. H atoms have been omitted for clarity. The minor positions of the disordered methyl groups are not shown.
(2,4-Di-tert-butyl-6-{(E)-[(E)-2-(2- methoxybenzylideneamino)cyclohexyl]iminomethyl}phenolato)dimethylaluminum(III) top
Crystal data top
[Al(CH3)2(C29H39N2O2)]F(000) = 1096
Mr = 504.67Dx = 1.085 Mg m−3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 16999 reflections
a = 15.5841 (9) Åθ = 2.4–25.8°
b = 10.4430 (6) ŵ = 0.09 mm−1
c = 20.4534 (12) ÅT = 303 K
β = 111.810 (1)°Block, yellow
V = 3090.4 (3) Å30.32 × 0.30 × 0.25 mm
Z = 4
Data collection top
Bruker SMART 1K CCD area-detector
diffractometer		6069 independent reflections
Radiation source: fine-focus sealed tube4158 reflections with I > 2σ(I)
graphiteRint = 0.024
φ and ω scansθmax = 26.0°, θmin = 2.1°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)		h = −18→19
Tmin = 0.968, Tmax = 0.979k = −12→12
16414 measured reflectionsl = −25→19
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.045Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.140H-atom parameters constrained
S = 1.07 w = 1/[σ2(Fo2) + (0.0758P)2 + 0.13P]
where P = (Fo2 + 2Fc2)/3
6069 reflections(Δ/σ)max = 0.001
353 parametersΔρmax = 0.21 e Å−3
0 restraintsΔρmin = −0.23 e Å−3
Crystal data top
[Al(CH3)2(C29H39N2O2)]V = 3090.4 (3) Å3
Mr = 504.67Z = 4
Monoclinic, P21/nMo Kα radiation
a = 15.5841 (9) ŵ = 0.09 mm−1
b = 10.4430 (6) ÅT = 303 K
c = 20.4534 (12) Å0.32 × 0.30 × 0.25 mm
β = 111.810 (1)°
Data collection top
Bruker SMART 1K CCD area-detector
diffractometer		6069 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)		4158 reflections with I > 2σ(I)
Tmin = 0.968, Tmax = 0.979Rint = 0.024
16414 measured reflectionsθmax = 26.0°
Refinement top
R[F2 > 2σ(F2)] = 0.045H-atom parameters constrained
wR(F2) = 0.140Δρmax = 0.21 e Å−3
S = 1.07Δρmin = −0.23 e Å−3
6069 reflectionsAbsolute structure: ?
353 parametersFlack parameter: ?
0 restraintsRogers parameter: ?
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Al10.15093 (4)−0.23257 (5)1.01539 (3)0.05346 (17)
N10.16403 (9)−0.06832 (12)1.06560 (7)0.0453 (3)
N20.33233 (10)0.04471 (14)1.15816 (8)0.0548 (4)
O10.13324 (10)−0.16488 (11)0.93314 (6)0.0679 (4)
O20.54897 (11)−0.04008 (19)1.10861 (9)0.0930 (5)
C10.13070 (12)−0.04527 (15)0.91126 (9)0.0484 (4)
C20.10964 (11)−0.01667 (16)0.83927 (8)0.0467 (4)
C30.08400 (13)−0.12465 (17)0.78423 (9)0.0578 (5)
C4−0.00146 (15)−0.1966 (2)0.78482 (12)0.0797 (6)
H4A−0.0522−0.13790.77470.120*
H4B0.0118−0.23410.83040.120*
H4C−0.0175−0.26280.74980.120*
C50.16522 (16)−0.2184 (2)0.80022 (12)0.0764 (6)
H5A0.2185−0.17330.79950.115*
H5B0.1490−0.28480.76530.115*
H5C0.1789−0.25580.84590.115*
C60.06099 (19)−0.0726 (2)0.70960 (11)0.0845 (7)
H6A0.0100−0.01410.69820.127*
H6B0.0447−0.14230.67670.127*
H6C0.1139−0.02880.70720.127*
C70.11354 (11)0.11049 (16)0.82141 (8)0.0473 (4)
H7A0.10020.12930.77420.057*
C80.13610 (11)0.21307 (15)0.86906 (8)0.0443 (4)
C90.14072 (12)0.35157 (16)0.84619 (9)0.0514 (4)
C100.2401 (4)0.4026 (6)0.8825 (5)0.103 (3)0.567 (11)
H10A0.28180.35110.86900.155*0.567 (11)
H10B0.25730.39870.93270.155*0.567 (11)
H10C0.24290.48970.86850.155*0.567 (11)
C110.1165 (8)0.3676 (7)0.7679 (3)0.126 (4)0.567 (11)
H11A0.15600.31400.75310.189*0.567 (11)
H11B0.12500.45540.75780.189*0.567 (11)
H11C0.05320.34350.74310.189*0.567 (11)
C120.0790 (6)0.4378 (5)0.8707 (6)0.115 (4)0.567 (11)
H12A0.09330.42490.92010.173*0.567 (11)
H12B0.01540.41680.84490.173*0.567 (11)
H12C0.08970.52580.86230.173*0.567 (11)
C10'0.0423 (4)0.3982 (7)0.8113 (7)0.091 (3)0.433 (11)
H10D0.01580.36350.76460.137*0.433 (11)
H10E0.04170.49000.80890.137*0.433 (11)
H10F0.00670.37060.83830.137*0.433 (11)
C11'0.1909 (10)0.4354 (7)0.9073 (4)0.128 (6)0.433 (11)
H11D0.25620.42050.92200.191*0.433 (11)
H11E0.17120.41620.94550.191*0.433 (11)
H11F0.17780.52350.89390.191*0.433 (11)
C12'0.1836 (8)0.3528 (8)0.7914 (7)0.105 (4)0.433 (11)
H12D0.21820.27540.79470.157*0.433 (11)
H12E0.22410.42520.79900.157*0.433 (11)
H12F0.13580.35850.74540.157*0.433 (11)
C130.15151 (11)0.18289 (16)0.93786 (8)0.0472 (4)
H13A0.16470.24840.97090.057*
C140.14805 (11)0.05669 (15)0.95983 (8)0.0458 (4)
C150.16173 (12)0.03794 (16)1.03283 (9)0.0484 (4)
H15A0.17000.11191.05980.058*
C160.18522 (11)−0.05630 (16)1.14241 (8)0.0476 (4)
H16A0.16260.02731.15080.057*
C170.13655 (13)−0.15877 (18)1.16847 (9)0.0590 (5)
H17A0.1552−0.24261.15820.071*
H17B0.0703−0.15101.14370.071*
C180.15928 (14)−0.1471 (2)1.24726 (10)0.0697 (6)
H18A0.1333−0.06811.25680.084*
H18B0.1313−0.21781.26280.084*
C190.26296 (15)−0.1478 (2)1.28832 (10)0.0718 (6)
H19A0.2752−0.13261.33780.086*
H19B0.2877−0.23131.28410.086*
C200.31094 (14)−0.04610 (19)1.26148 (10)0.0642 (5)
H20A0.3772−0.05231.28690.077*
H20B0.29120.03781.27060.077*
C210.28978 (12)−0.05982 (16)1.18267 (9)0.0500 (4)
H21A0.3142−0.14171.17380.060*
C220.39372 (12)0.01774 (18)1.13415 (9)0.0546 (4)
H22A0.4110−0.06751.13400.065*
C230.43922 (12)0.1148 (2)1.10646 (9)0.0595 (5)
C240.40447 (16)0.2387 (2)1.09247 (11)0.0711 (6)
H24A0.35130.26011.10050.085*
C250.4475 (2)0.3302 (3)1.06683 (13)0.0946 (8)
H25A0.42410.41301.05800.113*
C260.5259 (2)0.2971 (4)1.05458 (15)0.1100 (10)
H26A0.55500.35831.03710.132*
C270.56172 (18)0.1753 (3)1.06771 (13)0.0975 (9)
H27A0.61480.15481.05930.117*
C280.51884 (14)0.0838 (3)1.09337 (11)0.0739 (6)
C290.63063 (16)−0.0780 (3)1.09781 (16)0.1179 (11)
H29A0.6439−0.16611.11100.177*
H29B0.6815−0.02561.12610.177*
H29C0.6215−0.06771.04900.177*
C300.2676 (2)−0.3257 (3)1.05250 (15)0.1228 (11)
H30A0.2614−0.40581.02810.184*
H30B0.2834−0.34161.10180.184*
H30C0.3154−0.27571.04580.184*
C310.0389 (2)−0.3223 (3)1.00777 (18)0.1297 (13)
H31A0.0351−0.40130.98290.194*
H31B−0.0138−0.27000.98260.194*
H31C0.0396−0.34001.05400.194*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Al10.0741 (4)0.0371 (3)0.0544 (3)−0.0002 (2)0.0299 (3)0.0044 (2)
N10.0535 (8)0.0414 (7)0.0434 (7)0.0013 (6)0.0210 (6)0.0050 (6)
N20.0618 (9)0.0534 (9)0.0524 (8)−0.0063 (7)0.0247 (7)−0.0034 (7)
O10.1125 (11)0.0373 (7)0.0512 (7)−0.0068 (7)0.0272 (7)0.0008 (5)
O20.0696 (9)0.1153 (14)0.1041 (13)0.0090 (9)0.0437 (9)−0.0042 (11)
C10.0595 (10)0.0381 (9)0.0472 (9)−0.0011 (7)0.0191 (8)0.0038 (7)
C20.0512 (9)0.0450 (9)0.0422 (9)0.0001 (7)0.0154 (7)0.0005 (7)
C30.0753 (12)0.0492 (10)0.0454 (10)−0.0019 (9)0.0181 (9)−0.0044 (8)
C40.0861 (15)0.0682 (14)0.0754 (14)−0.0189 (12)0.0191 (12)−0.0149 (11)
C50.0987 (16)0.0602 (13)0.0728 (14)0.0131 (11)0.0348 (12)−0.0082 (10)
C60.1270 (19)0.0718 (14)0.0487 (11)−0.0002 (13)0.0255 (12)−0.0085 (10)
C70.0511 (9)0.0506 (10)0.0389 (8)0.0029 (7)0.0153 (7)0.0058 (7)
C80.0454 (8)0.0409 (9)0.0453 (9)0.0003 (7)0.0152 (7)0.0061 (7)
C90.0591 (10)0.0440 (9)0.0494 (10)0.0007 (8)0.0183 (8)0.0107 (8)
C100.080 (3)0.059 (3)0.145 (7)−0.019 (2)0.012 (3)0.033 (4)
C110.232 (11)0.071 (4)0.055 (3)−0.032 (6)0.030 (5)0.023 (2)
C120.155 (8)0.055 (3)0.184 (10)0.040 (4)0.119 (8)0.047 (5)
C10'0.086 (4)0.057 (4)0.137 (8)0.022 (3)0.049 (4)0.049 (4)
C11'0.189 (14)0.053 (4)0.080 (5)−0.046 (6)−0.020 (6)0.021 (3)
C12'0.149 (8)0.064 (4)0.143 (10)0.006 (5)0.102 (8)0.039 (5)
C130.0559 (9)0.0386 (9)0.0451 (9)−0.0005 (7)0.0164 (8)0.0005 (7)
C140.0551 (9)0.0413 (9)0.0396 (8)−0.0004 (7)0.0159 (7)0.0029 (7)
C150.0601 (10)0.0390 (9)0.0454 (9)0.0005 (7)0.0188 (8)−0.0001 (7)
C160.0590 (10)0.0449 (9)0.0426 (9)0.0055 (8)0.0234 (8)0.0048 (7)
C170.0607 (11)0.0639 (12)0.0574 (11)−0.0026 (9)0.0279 (9)0.0117 (9)
C180.0859 (14)0.0747 (14)0.0610 (12)−0.0008 (11)0.0415 (11)0.0137 (10)
C190.0965 (15)0.0705 (13)0.0490 (11)−0.0007 (11)0.0278 (11)0.0125 (10)
C200.0771 (13)0.0640 (12)0.0478 (10)−0.0043 (10)0.0188 (9)0.0028 (9)
C210.0589 (10)0.0446 (9)0.0490 (10)0.0004 (8)0.0230 (8)0.0020 (7)
C220.0536 (10)0.0596 (11)0.0482 (10)−0.0019 (8)0.0162 (8)−0.0023 (8)
C230.0560 (10)0.0767 (14)0.0454 (10)−0.0146 (9)0.0183 (8)−0.0072 (9)
C240.0807 (14)0.0736 (14)0.0599 (12)−0.0143 (11)0.0273 (10)−0.0010 (10)
C250.113 (2)0.0905 (18)0.0806 (16)−0.0268 (15)0.0364 (15)0.0052 (14)
C260.108 (2)0.135 (3)0.093 (2)−0.052 (2)0.0451 (17)0.0098 (19)
C270.0746 (15)0.144 (3)0.0832 (17)−0.0269 (17)0.0405 (13)0.0015 (17)
C280.0574 (12)0.1061 (19)0.0569 (12)−0.0145 (12)0.0197 (10)−0.0073 (12)
C290.0671 (15)0.173 (3)0.119 (2)0.0158 (17)0.0409 (15)−0.025 (2)
C300.141 (2)0.109 (2)0.0927 (19)0.0628 (19)0.0137 (17)−0.0238 (16)
C310.165 (3)0.112 (2)0.156 (3)−0.080 (2)0.112 (2)−0.063 (2)
Geometric parameters (Å, °) top
Al1—O11.7497 (13)C10'—H10F0.9600
Al1—N11.9705 (14)C11'—H11D0.9600
Al1—C311.936 (3)C11'—H11E0.9600
Al1—C301.950 (3)C11'—H11F0.9600
N1—C151.290 (2)C12'—H12D0.9600
N1—C161.486 (2)C12'—H12E0.9600
N2—C221.259 (2)C12'—H12F0.9600
N2—C211.459 (2)C13—C141.400 (2)
O1—C11.3225 (19)C13—H13A0.9300
O2—C281.372 (3)C14—C151.441 (2)
O2—C291.426 (3)C15—H15A0.9300
C1—C141.412 (2)C16—C171.518 (2)
C1—C21.416 (2)C16—C211.529 (2)
C2—C71.385 (2)C16—H16A0.9800
C2—C31.538 (2)C17—C181.521 (3)
C3—C61.532 (3)C17—H17A0.9700
C3—C41.533 (3)C17—H17B0.9700
C3—C51.537 (3)C18—C191.519 (3)
C4—H4A0.9600C18—H18A0.9700
C4—H4B0.9600C18—H18B0.9700
C4—H4C0.9600C19—C201.514 (3)
C5—H5A0.9600C19—H19A0.9700
C5—H5B0.9600C19—H19B0.9700
C5—H5C0.9600C20—C211.527 (2)
C6—H6A0.9600C20—H20A0.9700
C6—H6B0.9600C20—H20B0.9700
C6—H6C0.9600C21—H21A0.9800
C7—C81.402 (2)C22—C231.466 (3)
C7—H7A0.9300C22—H22A0.9300
C8—C131.373 (2)C23—C241.391 (3)
C8—C91.530 (2)C23—C281.401 (3)
C9—C11'1.488 (7)C24—C251.379 (3)
C9—C12'1.504 (8)C24—H24A0.9300
C9—C111.512 (6)C25—C261.379 (4)
C9—C10'1.512 (6)C25—H25A0.9300
C9—C121.531 (5)C26—C271.375 (4)
C9—C101.542 (6)C26—H26A0.9300
C10—H10A0.9600C27—C281.377 (3)
C10—H10B0.9600C27—H27A0.9300
C10—H10C0.9600C29—H29A0.9600
C11—H11A0.9600C29—H29B0.9600
C11—H11B0.9600C29—H29C0.9600
C11—H11C0.9600C30—H30A0.9600
C12—H12A0.9600C30—H30B0.9600
C12—H12B0.9600C30—H30C0.9600
C12—H12C0.9600C31—H31A0.9600
C10'—H10D0.9600C31—H31B0.9600
C10'—H10E0.9600C31—H31C0.9600
O1—Al1—C31107.63 (12)C9—C11'—H11F109.5
O1—Al1—C30111.52 (11)H11D—C11'—H11F109.5
C31—Al1—C30118.20 (16)H11E—C11'—H11F109.5
O1—Al1—N195.64 (6)C9—C12'—H12D109.5
C31—Al1—N1112.26 (10)C9—C12'—H12E109.5
C30—Al1—N1109.29 (10)H12D—C12'—H12E109.5
C15—N1—C16115.41 (14)C9—C12'—H12F109.5
C15—N1—Al1120.04 (11)H12D—C12'—H12F109.5
C16—N1—Al1124.33 (10)H12E—C12'—H12F109.5
C22—N2—C21118.35 (15)C8—C13—C14122.15 (15)
C1—O1—Al1132.93 (11)C8—C13—H13A118.9
C28—O2—C29118.4 (2)C14—C13—H13A118.9
O1—C1—C14120.02 (15)C13—C14—C1120.27 (15)
O1—C1—C2121.14 (15)C13—C14—C15116.88 (14)
C14—C1—C2118.83 (15)C1—C14—C15122.85 (15)
C7—C2—C1117.43 (15)N1—C15—C14128.32 (15)
C7—C2—C3122.35 (15)N1—C15—H15A115.8
C1—C2—C3120.22 (15)C14—C15—H15A115.8
C6—C3—C4107.41 (17)N1—C16—C17111.59 (14)
C6—C3—C5107.91 (17)N1—C16—C21109.95 (13)
C4—C3—C5109.59 (17)C17—C16—C21111.44 (14)
C6—C3—C2111.74 (15)N1—C16—H16A107.9
C4—C3—C2110.11 (16)C17—C16—H16A107.9
C5—C3—C2110.01 (15)C21—C16—H16A107.9
C3—C4—H4A109.5C16—C17—C18111.44 (16)
C3—C4—H4B109.5C16—C17—H17A109.3
H4A—C4—H4B109.5C18—C17—H17A109.3
C3—C4—H4C109.5C16—C17—H17B109.3
H4A—C4—H4C109.5C18—C17—H17B109.3
H4B—C4—H4C109.5H17A—C17—H17B108.0
C3—C5—H5A109.5C19—C18—C17111.50 (16)
C3—C5—H5B109.5C19—C18—H18A109.3
H5A—C5—H5B109.5C17—C18—H18A109.3
C3—C5—H5C109.5C19—C18—H18B109.3
H5A—C5—H5C109.5C17—C18—H18B109.3
H5B—C5—H5C109.5H18A—C18—H18B108.0
C3—C6—H6A109.5C20—C19—C18111.30 (17)
C3—C6—H6B109.5C20—C19—H19A109.4
H6A—C6—H6B109.5C18—C19—H19A109.4
C3—C6—H6C109.5C20—C19—H19B109.4
H6A—C6—H6C109.5C18—C19—H19B109.4
H6B—C6—H6C109.5H19A—C19—H19B108.0
C2—C7—C8124.99 (15)C19—C20—C21112.01 (16)
C2—C7—H7A117.5C19—C20—H20A109.2
C8—C7—H7A117.5C21—C20—H20A109.2
C13—C8—C7116.11 (15)C19—C20—H20B109.2
C13—C8—C9121.34 (15)C21—C20—H20B109.2
C7—C8—C9122.53 (14)H20A—C20—H20B107.9
C11'—C9—C12'112.4 (6)N2—C21—C20110.18 (14)
C11'—C9—C11132.2 (4)N2—C21—C16109.05 (14)
C11'—C9—C10'109.4 (5)C20—C21—C16109.59 (14)
C12'—C9—C10'107.4 (4)N2—C21—H21A109.3
C11—C9—C10'69.8 (4)C20—C21—H21A109.3
C11'—C9—C1265.0 (5)C16—C21—H21A109.3
C12'—C9—C12138.2 (4)N2—C22—C23122.88 (18)
C11—C9—C12110.0 (4)N2—C22—H22A118.6
C10'—C9—C1246.7 (3)C23—C22—H22A118.6
C11'—C9—C8111.6 (3)C24—C23—C28118.7 (2)
C12'—C9—C8108.7 (3)C24—C23—C22121.02 (18)
C11—C9—C8114.0 (3)C28—C23—C22120.3 (2)
C10'—C9—C8107.1 (3)C25—C24—C23121.1 (2)
C12—C9—C8110.5 (2)C25—C24—H24A119.5
C12'—C9—C1073.2 (5)C23—C24—H24A119.5
C11—C9—C10106.4 (4)C24—C25—C26118.9 (3)
C10'—C9—C10141.0 (3)C24—C25—H25A120.5
C12—C9—C10106.2 (4)C26—C25—H25A120.5
C8—C9—C10109.4 (2)C27—C26—C25121.3 (2)
C9—C10—H10A109.5C27—C26—H26A119.3
C9—C10—H10B109.5C25—C26—H26A119.3
H10A—C10—H10B109.5C26—C27—C28119.8 (3)
C9—C10—H10C109.5C26—C27—H27A120.1
H10A—C10—H10C109.5C28—C27—H27A120.1
H10B—C10—H10C109.5O2—C28—C27124.6 (2)
C9—C11—H11A109.5O2—C28—C23115.27 (19)
C9—C11—H11B109.5C27—C28—C23120.2 (3)
H11A—C11—H11B109.5O2—C29—H29A109.5
C9—C11—H11C109.5O2—C29—H29B109.5
H11A—C11—H11C109.5H29A—C29—H29B109.5
H11B—C11—H11C109.5O2—C29—H29C109.5
C9—C12—H12A109.5H29A—C29—H29C109.5
C9—C12—H12B109.5H29B—C29—H29C109.5
H12A—C12—H12B109.5Al1—C30—H30A109.5
C9—C12—H12C109.5Al1—C30—H30B109.5
H12A—C12—H12C109.5H30A—C30—H30B109.5
H12B—C12—H12C109.5Al1—C30—H30C109.5
C9—C10'—H10D109.5H30A—C30—H30C109.5
C9—C10'—H10E109.5H30B—C30—H30C109.5
H10D—C10'—H10E109.5Al1—C31—H31A109.5
C9—C10'—H10F109.5Al1—C31—H31B109.5
H10D—C10'—H10F109.5H31A—C31—H31B109.5
H10E—C10'—H10F109.5Al1—C31—H31C109.5
C9—C11'—H11D109.5H31A—C31—H31C109.5
C9—C11'—H11E109.5H31B—C31—H31C109.5
H11D—C11'—H11E109.5
O1—Al1—N1—C15−3.01 (14)O1—C1—C14—C13175.75 (15)
C31—Al1—N1—C15−114.68 (18)C2—C1—C14—C13−5.0 (3)
C30—Al1—N1—C15112.15 (17)O1—C1—C14—C15−5.0 (3)
O1—Al1—N1—C16−177.28 (12)C2—C1—C14—C15174.21 (15)
C31—Al1—N1—C1671.05 (17)C16—N1—C15—C14176.41 (15)
C30—Al1—N1—C16−62.12 (17)Al1—N1—C15—C141.7 (2)
C31—Al1—O1—C1116.42 (19)C13—C14—C15—N1−178.02 (17)
C30—Al1—O1—C1−112.4 (2)C1—C14—C15—N12.8 (3)
N1—Al1—O1—C10.91 (18)C15—N1—C16—C17147.68 (15)
Al1—O1—C1—C142.8 (3)Al1—N1—C16—C17−37.81 (18)
Al1—O1—C1—C2−176.44 (13)C15—N1—C16—C21−88.14 (18)
O1—C1—C2—C7−176.44 (16)Al1—N1—C16—C2186.37 (15)
C14—C1—C2—C74.3 (2)N1—C16—C17—C18179.34 (15)
O1—C1—C2—C33.3 (3)C21—C16—C17—C1856.0 (2)
C14—C1—C2—C3−175.90 (16)C16—C17—C18—C19−54.4 (2)
C7—C2—C3—C6−2.0 (3)C17—C18—C19—C2054.0 (2)
C1—C2—C3—C6178.25 (17)C18—C19—C20—C21−55.6 (2)
C7—C2—C3—C4−121.24 (19)C22—N2—C21—C20116.73 (17)
C1—C2—C3—C459.0 (2)C22—N2—C21—C16−122.96 (17)
C7—C2—C3—C5117.87 (19)C19—C20—C21—N2176.30 (16)
C1—C2—C3—C5−61.9 (2)C19—C20—C21—C1656.3 (2)
C1—C2—C7—C8−0.5 (3)N1—C16—C21—N258.78 (17)
C3—C2—C7—C8179.75 (16)C17—C16—C21—N2−176.96 (13)
C2—C7—C8—C13−2.8 (2)N1—C16—C21—C20179.45 (13)
C2—C7—C8—C9179.01 (15)C17—C16—C21—C20−56.28 (19)
C13—C8—C9—C11'18.0 (8)C21—N2—C22—C23178.37 (15)
C7—C8—C9—C11'−163.8 (8)N2—C22—C23—C24−12.8 (3)
C13—C8—C9—C12'142.6 (6)N2—C22—C23—C28167.42 (17)
C7—C8—C9—C12'−39.3 (6)C28—C23—C24—C25−0.6 (3)
C13—C8—C9—C11−176.7 (6)C22—C23—C24—C25179.60 (19)
C7—C8—C9—C111.5 (6)C23—C24—C25—C260.5 (3)
C13—C8—C9—C10'−101.7 (6)C24—C25—C26—C27−0.3 (4)
C7—C8—C9—C10'76.5 (6)C25—C26—C27—C280.2 (4)
C13—C8—C9—C12−52.3 (5)C29—O2—C28—C270.4 (3)
C7—C8—C9—C12125.9 (5)C29—O2—C28—C23−178.89 (19)
C13—C8—C9—C1064.3 (5)C26—C27—C28—O2−179.6 (2)
C7—C8—C9—C10−117.6 (5)C26—C27—C28—C23−0.4 (3)
C7—C8—C13—C142.1 (2)C24—C23—C28—O2179.87 (18)
C9—C8—C13—C14−179.66 (15)C22—C23—C28—O2−0.3 (3)
C8—C13—C14—C11.7 (3)C24—C23—C28—C270.5 (3)
C8—C13—C14—C15−177.54 (15)C22—C23—C28—C27−179.66 (19)
Table 1
Selected geometric parameters (Å) top
Al1—O11.7497 (13)Al1—C311.936 (3)
Al1—N11.9705 (14)Al1—C301.950 (3)
Acknowledgements top

The author is grateful for financial support from the National Science Foundation of China (grant No. 20601011) and the Science Foundation of Gansu Province of China.

references
References top

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