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The title compound, [Ga(CH3)2(C21H17N2O)], synthesized by the reaction of tri­methyl­gallium and 4-methyl-2,6-bis­(phenyl­imino­methyl)­phenol, has the Ga atom in a tetrahedral geometry; two mol­ecules form a dimer through a π–π interaction.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805005702/ng6095sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805005702/ng6095Isup2.hkl
Contains datablock I

CCDC reference: 270491

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.037
  • wR factor = 0.085
  • Data-to-parameter ratio = 16.2

checkCIF/PLATON results

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No errors found in this datablock

Computing details top

Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Bruker, 2000); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Dimethyl[4-methyl-2,6-bis(phenyliminomethyl)phenolato-κ2N,O]gallium(III) top
Crystal data top
[Ga(CH3)2(C21H17N2O)]F(000) = 856
Mr = 413.15Dx = 1.341 Mg m3
Monoclinic, P21/cMelting point: 445-446 K K
Hall symbol: -P 2ybcMo Kα radiation, λ = 0.71073 Å
a = 9.498 (1) ÅCell parameters from 3581 reflections
b = 13.028 (1) Åθ = 2.5–25.4°
c = 16.598 (2) ŵ = 1.36 mm1
β = 95.04 (1)°T = 293 K
V = 2045.9 (4) Å3Block, orange
Z = 40.30 × 0.20 × 0.20 mm
Data collection top
Bruker SMART APEX CCD area-detector
diffractometer
4013 independent reflections
Radiation source: sealed tube2790 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.068
φ and ω scansθmax = 26.0°, θmin = 2.0°
Absorption correction: multi-scan
(SADABS; Bruker, 2000)
h = 1111
Tmin = 0.73, Tmax = 0.76k = 1416
10679 measured reflectionsl = 2017
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)] = 0.037Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.085H-atom parameters constrained
S = 1.05 w = 1/[σ2(Fo2) + (0.025P)2]
where P = (Fo2 + 2Fc2)/3
4013 reflections(Δ/σ)max = 0.001
247 parametersΔρmax = 0.42 e Å3
0 restraintsΔρmin = 0.26 e Å3
Special details top

Geometry. Cg1 Cg1 3.496 (17) 3 y (Cg1···Cg1i, 3.50 (2) Å), the Cg1 being the center of the aromatic ring (C1/C2/C3/C4/C5/C6, i: 1 - x, 1 - y, 1 - z).

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Ga10.78024 (3)0.75831 (2)0.628870 (17)0.04878 (12)
N10.6536 (2)0.31899 (18)0.65541 (13)0.0539 (6)
N20.6321 (2)0.79903 (16)0.53757 (12)0.0448 (5)
O10.72893 (16)0.61912 (14)0.61645 (10)0.0526 (5)
C10.5964 (2)0.5882 (2)0.60463 (14)0.0437 (6)
C20.5619 (2)0.4868 (2)0.62280 (13)0.0446 (6)
C30.4217 (2)0.4536 (2)0.61086 (14)0.0487 (6)
H30.40020.38640.62400.058*
C40.3137 (2)0.5177 (2)0.58017 (15)0.0494 (7)
C50.3481 (2)0.6151 (2)0.55922 (14)0.0476 (7)
H50.27660.65810.53720.057*
C60.4870 (2)0.6532 (2)0.56944 (14)0.0426 (6)
C70.5152 (3)0.74829 (19)0.53112 (15)0.0467 (6)
H70.44130.77660.49790.056*
C80.6748 (3)0.4142 (2)0.64799 (14)0.0502 (6)
H80.76620.43920.65900.060*
C90.1642 (2)0.4768 (2)0.56474 (18)0.0671 (8)
H9A0.09880.53310.56140.101*
H9B0.14380.43220.60830.101*
H9C0.15550.43920.51480.101*
C100.7705 (3)0.2511 (2)0.67014 (16)0.0527 (7)
C110.8939 (3)0.2606 (2)0.63267 (18)0.0644 (8)
H110.90580.31630.59890.077*
C120.9994 (3)0.1887 (3)0.6446 (2)0.0804 (10)
H121.08200.19570.61890.096*
C130.9830 (4)0.1068 (3)0.6944 (2)0.0913 (12)
H131.05440.05810.70260.110*
C140.8617 (4)0.0966 (3)0.7320 (2)0.0869 (11)
H140.85070.04110.76610.104*
C150.7560 (3)0.1682 (3)0.71943 (18)0.0692 (8)
H150.67320.16020.74480.083*
C160.6476 (2)0.8856 (2)0.48622 (15)0.0466 (6)
C170.5937 (3)0.8856 (2)0.40631 (16)0.0591 (8)
H170.54430.82880.38480.071*
C180.6131 (3)0.9698 (3)0.35853 (19)0.0713 (9)
H180.57500.97040.30500.086*
C190.6888 (3)1.0535 (3)0.3896 (2)0.0738 (9)
H190.70191.11020.35710.089*
C200.7439 (3)1.0526 (3)0.4679 (2)0.0686 (8)
H200.79551.10880.48870.082*
C210.7244 (3)0.9701 (2)0.51637 (17)0.0587 (7)
H210.76270.97040.56990.070*
C220.9699 (3)0.7731 (2)0.5952 (2)0.0765 (9)
H22A1.03490.73420.63070.115*
H22B0.99650.84420.59730.115*
H22C0.97200.74830.54080.115*
C230.7033 (3)0.8119 (3)0.72503 (17)0.0764 (9)
H23A0.61060.78410.72890.115*
H23B0.69760.88540.72160.115*
H23C0.76370.79280.77200.115*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ga10.04450 (17)0.0514 (2)0.04959 (18)0.00698 (14)0.00096 (12)0.00031 (14)
N10.0504 (13)0.0501 (16)0.0598 (14)0.0072 (12)0.0026 (11)0.0045 (12)
N20.0413 (12)0.0460 (14)0.0464 (12)0.0020 (10)0.0007 (9)0.0015 (10)
O10.0377 (9)0.0480 (12)0.0708 (12)0.0045 (8)0.0030 (8)0.0034 (9)
C10.0440 (14)0.0471 (17)0.0401 (14)0.0055 (12)0.0040 (11)0.0049 (12)
C20.0428 (13)0.0513 (17)0.0395 (14)0.0048 (12)0.0016 (11)0.0026 (12)
C30.0499 (15)0.0519 (17)0.0446 (15)0.0120 (13)0.0057 (12)0.0025 (13)
C40.0401 (14)0.061 (2)0.0469 (15)0.0080 (13)0.0050 (12)0.0038 (14)
C50.0378 (14)0.0594 (19)0.0453 (14)0.0029 (12)0.0011 (11)0.0004 (13)
C60.0388 (13)0.0479 (16)0.0409 (14)0.0029 (12)0.0020 (11)0.0007 (12)
C70.0449 (14)0.0499 (18)0.0448 (14)0.0035 (13)0.0000 (11)0.0018 (13)
C80.0461 (14)0.0532 (19)0.0503 (15)0.0085 (13)0.0018 (12)0.0009 (14)
C90.0443 (15)0.081 (2)0.0749 (19)0.0165 (15)0.0004 (14)0.0025 (17)
C100.0511 (16)0.0540 (19)0.0507 (15)0.0065 (14)0.0090 (12)0.0021 (14)
C110.0573 (17)0.067 (2)0.0680 (18)0.0016 (15)0.0022 (15)0.0069 (16)
C120.064 (2)0.090 (3)0.085 (2)0.013 (2)0.0031 (18)0.002 (2)
C130.091 (3)0.081 (3)0.096 (3)0.031 (2)0.023 (2)0.005 (2)
C140.104 (3)0.067 (2)0.086 (2)0.006 (2)0.016 (2)0.0185 (19)
C150.075 (2)0.059 (2)0.071 (2)0.0053 (17)0.0032 (16)0.0084 (17)
C160.0414 (13)0.0470 (17)0.0512 (16)0.0005 (12)0.0028 (12)0.0028 (13)
C170.0601 (17)0.064 (2)0.0526 (17)0.0114 (15)0.0005 (14)0.0059 (15)
C180.074 (2)0.078 (3)0.0602 (19)0.0053 (18)0.0001 (16)0.0168 (18)
C190.070 (2)0.062 (2)0.091 (3)0.0008 (17)0.0147 (18)0.0220 (19)
C200.0650 (18)0.055 (2)0.086 (2)0.0095 (15)0.0057 (17)0.0005 (18)
C210.0583 (16)0.055 (2)0.0616 (17)0.0063 (14)0.0009 (14)0.0010 (15)
C220.0492 (16)0.080 (2)0.100 (2)0.0112 (15)0.0052 (16)0.021 (2)
C230.097 (2)0.078 (3)0.0532 (18)0.0047 (19)0.0024 (17)0.0060 (16)
Geometric parameters (Å, º) top
Ga1—O11.8843 (18)C11—C121.373 (4)
Ga1—N22.045 (2)C11—H110.9300
Ga1—C221.942 (3)C12—C131.366 (5)
Ga1—C231.943 (3)C12—H120.9300
N1—C81.264 (3)C13—C141.364 (4)
N1—C101.423 (3)C13—H130.9300
N2—C71.289 (3)C14—C151.373 (4)
N2—C161.429 (3)C14—H140.9300
O1—C11.319 (3)C15—H150.9300
C1—C21.401 (3)C16—C171.379 (3)
C1—C61.425 (3)C16—C211.389 (4)
C2—C31.397 (3)C17—C181.375 (4)
C2—C81.463 (3)C17—H170.9300
C3—C41.384 (4)C18—C191.380 (4)
C3—H30.9300C18—H180.9300
C4—C51.363 (4)C19—C201.358 (4)
C4—C91.517 (3)C19—H190.9300
C5—C61.406 (3)C20—C211.365 (4)
C5—H50.9300C20—H200.9300
C6—C71.428 (3)C21—H210.9300
C7—H70.9300C22—H22A0.9600
C8—H80.9300C22—H22B0.9600
C9—H9A0.9600C22—H22C0.9600
C9—H9B0.9600C23—H23A0.9600
C9—H9C0.9600C23—H23B0.9600
C10—C151.370 (4)C23—H23C0.9600
C10—C111.380 (4)
O1—Ga1—C22107.56 (11)C12—C11—H11119.6
O1—Ga1—C23108.87 (11)C10—C11—H11119.6
O1—Ga1—N290.81 (8)C13—C12—C11119.9 (3)
N2—Ga1—C22110.83 (11)C13—C12—H12120.0
N2—Ga1—C23103.40 (11)C11—C12—H12120.0
C22—Ga1—C23128.77 (14)C14—C13—C12119.9 (3)
C8—N1—C10119.8 (2)C14—C13—H13120.0
C7—N2—C16119.2 (2)C12—C13—H13120.0
C7—N2—Ga1117.39 (17)C13—C14—C15120.0 (3)
C16—N2—Ga1123.14 (15)C13—C14—H14120.0
C1—O1—Ga1122.94 (16)C15—C14—H14120.0
O1—C1—C2119.6 (2)C10—C15—C14121.1 (3)
O1—C1—C6122.1 (2)C10—C15—H15119.5
C2—C1—C6118.2 (2)C14—C15—H15119.5
C3—C2—C1119.9 (2)C17—C16—C21119.0 (3)
C3—C2—C8120.4 (3)C17—C16—N2121.7 (2)
C1—C2—C8119.4 (2)C21—C16—N2119.3 (2)
C4—C3—C2122.2 (3)C18—C17—C16119.8 (3)
C4—C3—H3118.9C18—C17—H17120.1
C2—C3—H3118.9C16—C17—H17120.1
C5—C4—C3117.9 (2)C17—C18—C19120.4 (3)
C5—C4—C9121.7 (2)C17—C18—H18119.8
C3—C4—C9120.2 (3)C19—C18—H18119.8
C4—C5—C6122.8 (2)C20—C19—C18119.7 (3)
C4—C5—H5118.6C20—C19—H19120.1
C6—C5—H5118.6C18—C19—H19120.1
C5—C6—C1118.8 (2)C19—C20—C21120.6 (3)
C5—C6—C7117.6 (2)C19—C20—H20119.7
C1—C6—C7122.6 (2)C21—C20—H20119.7
N2—C7—C6127.0 (2)C20—C21—C16120.4 (3)
N2—C7—H7116.5C20—C21—H21119.8
C6—C7—H7116.5C16—C21—H21119.8
N1—C8—C2122.9 (2)Ga1—C22—H22A109.5
N1—C8—H8118.6Ga1—C22—H22B109.5
C2—C8—H8118.6H22A—C22—H22B109.5
C4—C9—H9A109.5Ga1—C22—H22C109.5
C4—C9—H9B109.5H22A—C22—H22C109.5
H9A—C9—H9B109.5H22B—C22—H22C109.5
C4—C9—H9C109.5Ga1—C23—H23A109.5
H9A—C9—H9C109.5Ga1—C23—H23B109.5
H9B—C9—H9C109.5H23A—C23—H23B109.5
C15—C10—C11118.2 (3)Ga1—C23—H23C109.5
C15—C10—N1118.4 (3)H23A—C23—H23C109.5
C11—C10—N1123.2 (3)H23B—C23—H23C109.5
C12—C11—C10120.8 (3)
 

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