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The title compound, [Cu2Cl4(C42H40N4O2)], is a binuclear mol­ecule bridged by two Cl atoms. The bridging unit Cu2Cl2 is almost planar and the CuII ions are coordinated by two N and three Cl atoms forming a square pyramid. There are two bifurcated hydrogen bonds.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536801019092/om6070sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536801019092/om6070Isup2.hkl
Contains datablock I

CCDC reference: 177183

Key indicators

  • Single-crystal X-ray study
  • T = 100 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.042
  • wR factor = 0.098
  • Data-to-parameter ratio = 21.2

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


Yellow Alert Alert Level C:
PLAT_213 Alert C Atom C27 has ADP max/min Ratio ........... 3.10 PLAT_420 Alert C D-H Without Acceptor N(4) - H(4) ?
0 Alert Level A = Potentially serious problem
0 Alert Level B = Potential problem
2 Alert Level C = Please check

Computing details top

Data collection: SMART-NT (Bruker, 1998); cell refinement: SMART-NT; data reduction: SAINT-NT (Bruker, 1998); program(s) used to solve structure: SHELXL97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97; molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: SHELXL97.

(I) top
Crystal data top
[Cu2Cl4(C42H40N4O2)]Dx = 1.459 Mg m3
Mr = 901.66Melting point = 446–448 K
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
a = 14.8811 (5) ÅCell parameters from 4690 reflections
b = 12.9287 (4) Åθ = 2.4–28.1°
c = 21.7718 (6) ŵ = 1.34 mm1
β = 101.569 (1)°T = 100 K
V = 4103.6 (2) Å3Irregular, dark green
Z = 40.18 × 0.10 × 0.08 mm
F(000) = 1848
Data collection top
Bruker SMART 1K
diffractometer
10377 independent reflections
Radiation source: fine-focus sealed tube6753 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.083
Detector resolution: 8 pixels mm-1θmax = 28.5°, θmin = 1.4°
ω scansh = 1919
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
k = 1717
Tmin = 0.709, Tmax = 0.898l = 2829
48138 measured reflections
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)] = 0.042Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.098H-atom parameters constrained
S = 1.02 w = 1/[σ2(Fo2) + (0.0342P)2 + 2.4175P]
where P = (Fo2 + 2Fc2)/3
10377 reflections(Δ/σ)max = 0.001
489 parametersΔρmax = 0.50 e Å3
0 restraintsΔρmin = 0.39 e Å3
Special details top

Experimental. The data collection nominally covered full sphere of reciprocal Space, by a combination of 5 sets of ω scans each set at different φ and/or 2θ angles and each scan (25 s exposure) covering 0.3° in ω. Crystal to detector distance 4.51 cm.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Cu10.63458 (2)0.61225 (3)0.237906 (16)0.01714 (9)
Cu20.85880 (2)0.63519 (3)0.249479 (16)0.01648 (9)
Cl10.59608 (5)0.77957 (6)0.21876 (4)0.02405 (17)
Cl20.88980 (5)0.46601 (6)0.27592 (3)0.02175 (16)
Cl30.73930 (5)0.64809 (5)0.32504 (3)0.01838 (15)
Cl40.75643 (5)0.60077 (5)0.16197 (3)0.01840 (15)
O10.48024 (15)0.63301 (17)0.12977 (10)0.0299 (5)
H10.49430.69370.14180.045*
O20.99928 (14)0.62043 (17)0.36662 (9)0.0280 (5)
H20.98950.55890.35480.042*
N10.53513 (16)0.56336 (19)0.16906 (11)0.0207 (5)
N20.64062 (16)0.45796 (18)0.25691 (10)0.0163 (5)
H2A0.70040.43680.25720.020*
N30.95182 (16)0.68666 (19)0.32129 (11)0.0195 (5)
N40.84896 (16)0.79199 (18)0.23064 (11)0.0174 (5)
H40.79100.80950.23710.021*
C10.52259 (19)0.4664 (2)0.15719 (13)0.0180 (6)
C20.57792 (19)0.3951 (2)0.20629 (13)0.0186 (6)
H2B0.53300.35860.22730.022*
C30.9601 (2)0.7841 (2)0.33279 (13)0.0199 (6)
C40.91349 (19)0.8543 (2)0.27977 (13)0.0182 (6)
H4A0.96260.88270.25920.022*
C50.5496 (3)0.3491 (3)0.49399 (17)0.0482 (10)
H5A0.49430.38650.49910.072*
H5B0.59950.36380.52970.072*
H5C0.53700.27460.49200.072*
C60.8571 (3)0.9588 (3)0.01427 (16)0.0426 (9)
H6A0.85791.03430.01000.064*
H6B0.80300.93790.04540.064*
H6C0.91270.93600.02800.064*
C70.45597 (19)0.4202 (2)0.10409 (13)0.0199 (6)
C80.4305 (2)0.4713 (3)0.04643 (14)0.0269 (7)
H80.45520.53750.04070.032*
C90.3694 (2)0.4250 (3)0.00206 (15)0.0326 (8)
H90.35330.45970.04120.039*
C100.3313 (2)0.3296 (3)0.00514 (15)0.0309 (8)
H100.28840.29960.02830.037*
C110.3564 (2)0.2782 (3)0.06182 (14)0.0263 (7)
H110.33100.21210.06700.032*
C120.4183 (2)0.3221 (2)0.11106 (14)0.0228 (7)
H120.43520.28580.14960.027*
C130.6322 (2)0.3119 (2)0.18038 (14)0.0202 (6)
C140.6895 (2)0.3345 (3)0.13911 (15)0.0286 (7)
H140.69230.40310.12400.034*
C150.7428 (2)0.2579 (3)0.11967 (17)0.0360 (9)
H150.78190.27440.09160.043*
C160.7391 (2)0.1571 (3)0.14113 (17)0.0343 (8)
H160.77600.10480.12800.041*
C170.6815 (2)0.1331 (3)0.18165 (17)0.0337 (8)
H170.67850.06420.19630.040*
C180.6280 (2)0.2101 (2)0.20090 (15)0.0261 (7)
H180.58810.19310.22840.031*
C190.6224 (2)0.4360 (2)0.31895 (13)0.0180 (6)
C200.6824 (2)0.3768 (2)0.36168 (14)0.0267 (7)
H200.73880.35410.35210.032*
C210.6596 (3)0.3507 (3)0.41878 (15)0.0349 (8)
H210.70090.30990.44800.042*
C220.5773 (2)0.3836 (3)0.43376 (15)0.0312 (8)
C230.5203 (2)0.4475 (3)0.39143 (15)0.0281 (7)
H230.46570.47410.40170.034*
C240.5425 (2)0.4727 (2)0.33446 (14)0.0243 (7)
H240.50250.51560.30580.029*
C251.0125 (2)0.8323 (2)0.39076 (14)0.0235 (7)
C261.0015 (3)0.7972 (3)0.44984 (16)0.0491 (12)
H260.96300.73960.45300.059*
C271.0466 (4)0.8467 (4)0.50311 (18)0.0738 (17)
H271.03960.82260.54310.089*
C281.1021 (4)0.9314 (3)0.49898 (18)0.0650 (15)
H281.13210.96570.53600.078*
C291.1138 (3)0.9662 (3)0.44111 (16)0.0376 (9)
H291.15281.02350.43840.045*
C301.0685 (2)0.9174 (2)0.38710 (14)0.0236 (7)
H301.07570.94210.34730.028*
C310.86416 (19)0.9463 (2)0.30173 (14)0.0203 (6)
C320.7933 (2)0.9301 (2)0.33354 (15)0.0270 (7)
H320.77600.86180.34240.032*
C330.7477 (2)1.0148 (3)0.35241 (16)0.0321 (8)
H330.69891.00400.37390.039*
C340.7729 (2)1.1142 (3)0.34012 (16)0.0316 (8)
H340.74151.17140.35340.038*
C350.8434 (2)1.1311 (3)0.30852 (16)0.0322 (8)
H350.86051.19960.30020.039*
C360.8894 (2)1.0468 (2)0.28894 (15)0.0246 (7)
H360.93761.05790.26700.030*
C370.8488 (2)0.8288 (2)0.16733 (14)0.0198 (6)
C380.9287 (2)0.8232 (2)0.14369 (14)0.0230 (7)
H380.98200.79150.16760.028*
C390.9302 (2)0.8642 (3)0.08478 (14)0.0277 (7)
H390.98530.86080.06920.033*
C400.8534 (2)0.9097 (2)0.04829 (14)0.0272 (7)
C410.7731 (2)0.9104 (2)0.07168 (14)0.0265 (7)
H410.71890.93860.04670.032*
C420.7697 (2)0.8708 (2)0.13090 (14)0.0226 (6)
H420.71420.87260.14610.027*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.01716 (18)0.01540 (18)0.01864 (18)0.00064 (14)0.00304 (14)0.00126 (14)
Cu20.01664 (17)0.01545 (18)0.01659 (18)0.00049 (14)0.00150 (14)0.00168 (14)
Cl10.0288 (4)0.0183 (4)0.0260 (4)0.0064 (3)0.0080 (3)0.0003 (3)
Cl20.0246 (4)0.0183 (4)0.0229 (4)0.0050 (3)0.0059 (3)0.0003 (3)
Cl30.0194 (3)0.0187 (4)0.0174 (3)0.0017 (3)0.0046 (3)0.0039 (3)
Cl40.0200 (3)0.0182 (3)0.0165 (3)0.0016 (3)0.0023 (3)0.0034 (3)
O10.0288 (12)0.0236 (12)0.0320 (12)0.0048 (10)0.0063 (10)0.0031 (10)
O20.0302 (12)0.0254 (12)0.0236 (11)0.0031 (10)0.0059 (9)0.0040 (10)
N10.0184 (12)0.0213 (13)0.0217 (13)0.0022 (10)0.0021 (10)0.0020 (10)
N20.0142 (11)0.0170 (12)0.0164 (12)0.0003 (10)0.0002 (9)0.0044 (10)
N30.0181 (13)0.0213 (13)0.0188 (13)0.0014 (10)0.0031 (10)0.0022 (10)
N40.0172 (12)0.0197 (13)0.0155 (12)0.0029 (10)0.0034 (10)0.0025 (10)
C10.0149 (14)0.0232 (16)0.0164 (14)0.0034 (12)0.0040 (11)0.0009 (12)
C20.0185 (14)0.0193 (15)0.0174 (14)0.0025 (12)0.0025 (11)0.0001 (12)
C30.0174 (14)0.0260 (16)0.0168 (14)0.0042 (12)0.0045 (12)0.0015 (12)
C40.0183 (14)0.0187 (15)0.0178 (14)0.0029 (12)0.0037 (11)0.0037 (12)
C50.069 (3)0.050 (3)0.029 (2)0.006 (2)0.017 (2)0.0032 (18)
C60.062 (3)0.039 (2)0.0275 (19)0.0005 (19)0.0119 (18)0.0042 (16)
C70.0161 (14)0.0279 (17)0.0165 (14)0.0029 (12)0.0050 (12)0.0012 (12)
C80.0256 (16)0.0325 (18)0.0224 (16)0.0093 (14)0.0041 (13)0.0017 (14)
C90.0349 (19)0.044 (2)0.0166 (16)0.0096 (16)0.0008 (14)0.0061 (15)
C100.0265 (17)0.042 (2)0.0220 (17)0.0096 (15)0.0012 (14)0.0019 (15)
C110.0269 (17)0.0314 (18)0.0217 (16)0.0111 (14)0.0075 (13)0.0029 (14)
C120.0219 (16)0.0274 (17)0.0188 (15)0.0033 (13)0.0037 (12)0.0018 (13)
C130.0190 (15)0.0199 (15)0.0203 (15)0.0023 (12)0.0007 (12)0.0049 (12)
C140.0333 (18)0.0222 (17)0.0330 (18)0.0036 (14)0.0131 (15)0.0095 (14)
C150.0329 (19)0.036 (2)0.044 (2)0.0065 (16)0.0191 (17)0.0179 (17)
C160.0270 (18)0.0238 (18)0.050 (2)0.0026 (14)0.0038 (16)0.0185 (16)
C170.0343 (19)0.0204 (17)0.043 (2)0.0040 (15)0.0006 (16)0.0039 (15)
C180.0253 (17)0.0233 (17)0.0292 (17)0.0026 (13)0.0044 (14)0.0004 (13)
C190.0246 (15)0.0114 (13)0.0171 (14)0.0039 (12)0.0020 (12)0.0016 (11)
C200.0307 (17)0.0209 (16)0.0277 (17)0.0035 (14)0.0036 (14)0.0005 (13)
C210.048 (2)0.0289 (19)0.0248 (17)0.0016 (16)0.0011 (16)0.0063 (14)
C220.043 (2)0.0285 (18)0.0229 (16)0.0113 (16)0.0090 (15)0.0057 (14)
C230.0278 (17)0.0323 (19)0.0259 (17)0.0073 (14)0.0094 (14)0.0080 (14)
C240.0250 (16)0.0237 (16)0.0244 (16)0.0006 (13)0.0050 (13)0.0007 (13)
C250.0291 (17)0.0239 (16)0.0164 (15)0.0068 (14)0.0023 (13)0.0027 (12)
C260.084 (3)0.043 (2)0.0198 (18)0.037 (2)0.0080 (19)0.0031 (16)
C270.138 (5)0.063 (3)0.0186 (19)0.057 (3)0.009 (2)0.0001 (19)
C280.108 (4)0.055 (3)0.023 (2)0.040 (3)0.011 (2)0.0027 (19)
C290.042 (2)0.039 (2)0.0268 (18)0.0179 (17)0.0060 (16)0.0014 (16)
C300.0237 (16)0.0268 (17)0.0198 (15)0.0052 (13)0.0027 (13)0.0016 (13)
C310.0168 (14)0.0215 (16)0.0226 (16)0.0030 (12)0.0040 (12)0.0095 (12)
C320.0295 (17)0.0215 (16)0.0316 (18)0.0074 (14)0.0098 (14)0.0080 (14)
C330.0288 (18)0.0328 (19)0.037 (2)0.0057 (15)0.0120 (15)0.0139 (16)
C340.0295 (18)0.0258 (18)0.0389 (19)0.0045 (15)0.0052 (15)0.0135 (15)
C350.0290 (18)0.0237 (17)0.042 (2)0.0040 (14)0.0028 (15)0.0048 (15)
C360.0188 (15)0.0260 (17)0.0291 (17)0.0014 (13)0.0049 (13)0.0010 (13)
C370.0243 (16)0.0134 (14)0.0204 (15)0.0037 (12)0.0010 (12)0.0028 (12)
C380.0208 (15)0.0250 (16)0.0228 (16)0.0025 (13)0.0031 (13)0.0029 (13)
C390.0331 (18)0.0291 (18)0.0234 (16)0.0032 (15)0.0115 (14)0.0047 (14)
C400.043 (2)0.0194 (16)0.0201 (16)0.0028 (14)0.0073 (14)0.0037 (12)
C410.0313 (18)0.0204 (16)0.0246 (16)0.0054 (13)0.0019 (14)0.0001 (13)
C420.0274 (16)0.0173 (15)0.0211 (15)0.0012 (13)0.0002 (13)0.0025 (12)
Geometric parameters (Å, º) top
Cu1—N11.987 (2)C14—C151.386 (4)
Cu1—N22.036 (2)C14—H140.9500
Cu1—Cl32.2485 (7)C15—C161.390 (5)
Cu1—Cl12.2552 (8)C15—H150.9500
Cu1—Cl42.6919 (8)C16—C171.383 (5)
Cu1—Cu23.3087 (5)C16—H160.9500
Cu2—N31.984 (2)C17—C181.391 (4)
Cu2—N42.068 (2)C17—H170.9500
Cu2—Cl42.2326 (7)C18—H180.9500
Cu2—Cl22.2852 (8)C19—C241.383 (4)
Cu2—Cl32.6589 (8)C19—C201.384 (4)
O1—N11.389 (3)C20—C211.394 (5)
O1—H10.8400C20—H200.9500
O2—N31.388 (3)C21—C221.395 (5)
O2—H20.8400C21—H210.9500
N1—C11.286 (4)C22—C231.393 (5)
N2—C191.458 (4)C23—C241.385 (4)
N2—C21.527 (3)C23—H230.9500
N2—H2A0.9300C24—H240.9500
N3—C31.285 (4)C25—C301.391 (4)
N4—C371.458 (4)C25—C261.404 (4)
N4—C41.518 (3)C26—C271.376 (5)
N4—H40.9300C26—H260.9500
C1—C71.489 (4)C27—C281.386 (6)
C1—C21.522 (4)C27—H270.9500
C2—C131.520 (4)C28—C291.381 (5)
C2—H2B1.0000C28—H280.9500
C3—C251.482 (4)C29—C301.385 (4)
C3—C41.522 (4)C29—H290.9500
C4—C311.524 (4)C30—H300.9500
C4—H4A1.0000C31—C321.389 (4)
C5—C221.519 (5)C31—C361.396 (4)
C5—H5A0.9800C32—C331.392 (4)
C5—H5B0.9800C32—H320.9500
C5—H5C0.9800C33—C341.380 (5)
C6—C401.514 (4)C33—H330.9500
C6—H6A0.9800C34—C351.383 (5)
C6—H6B0.9800C34—H340.9500
C6—H6C0.9800C35—C361.397 (4)
C7—C81.402 (4)C35—H350.9500
C7—C121.408 (4)C36—H360.9500
C8—C91.384 (4)C37—C381.389 (4)
C8—H80.9500C37—C421.391 (4)
C9—C101.379 (5)C38—C391.392 (4)
C9—H90.9500C38—H380.9500
C10—C111.386 (4)C39—C401.385 (5)
C10—H100.9500C39—H390.9500
C11—C121.386 (4)C40—C411.389 (5)
C11—H110.9500C41—C421.397 (4)
C12—H120.9500C41—H410.9500
C13—C141.389 (4)C42—H420.9500
C13—C181.396 (4)
N1—Cu1—N280.65 (10)C12—C11—H11119.6
N1—Cu1—Cl3170.92 (8)C11—C12—C7120.2 (3)
N2—Cu1—Cl392.04 (7)C11—C12—H12119.9
N1—Cu1—Cl192.44 (8)C7—C12—H12119.9
N2—Cu1—Cl1167.64 (7)C14—C13—C18118.5 (3)
Cl3—Cu1—Cl193.76 (3)C14—C13—C2122.2 (3)
N1—Cu1—Cl490.61 (7)C18—C13—C2119.2 (3)
N2—Cu1—Cl493.62 (7)C15—C14—C13120.7 (3)
Cl3—Cu1—Cl495.24 (3)C15—C14—H14119.7
Cl1—Cu1—Cl496.71 (3)C13—C14—H14119.7
N1—Cu1—Cu2132.32 (7)C14—C15—C16120.3 (3)
N2—Cu1—Cu293.99 (7)C14—C15—H15119.9
Cl3—Cu1—Cu253.10 (2)C16—C15—H15119.9
Cl1—Cu1—Cu298.22 (2)C17—C16—C15119.7 (3)
N3—Cu2—N480.68 (9)C17—C16—H16120.1
N3—Cu2—Cl4171.22 (7)C15—C16—H16120.1
N4—Cu2—Cl490.98 (7)C16—C17—C18119.8 (3)
N3—Cu2—Cl292.80 (7)C16—C17—H17120.1
N4—Cu2—Cl2172.36 (7)C18—C17—H17120.1
Cl4—Cu2—Cl295.33 (3)C17—C18—C13120.9 (3)
N3—Cu2—Cl386.50 (7)C17—C18—H18119.5
N4—Cu2—Cl391.82 (7)C13—C18—H18119.5
Cl4—Cu2—Cl396.54 (3)C24—C19—C20119.8 (3)
Cl2—Cu2—Cl391.75 (3)C24—C19—N2119.2 (3)
N3—Cu2—Cu1128.59 (7)C20—C19—N2121.0 (3)
N4—Cu2—Cu192.44 (7)C19—C20—C21119.6 (3)
Cl4—Cu2—Cu153.99 (2)C19—C20—H20120.2
Cl2—Cu2—Cu194.76 (2)C21—C20—H20120.2
Cu1—Cl3—Cu284.34 (2)C20—C21—C22121.1 (3)
Cu2—Cl4—Cu183.87 (2)C20—C21—H21119.4
N1—O1—H1109.5C22—C21—H21119.4
N3—O2—H2109.5C23—C22—C21118.2 (3)
C1—N1—O1117.7 (2)C23—C22—C5120.7 (3)
C1—N1—Cu1121.2 (2)C21—C22—C5121.1 (3)
O1—N1—Cu1121.03 (18)C24—C23—C22120.6 (3)
C19—N2—C2111.4 (2)C24—C23—H23119.7
C19—N2—Cu1111.73 (17)C22—C23—H23119.7
C2—N2—Cu1112.26 (17)C19—C24—C23120.6 (3)
C19—N2—H2A107.0C19—C24—H24119.7
C2—N2—H2A107.0C23—C24—H24119.7
Cu1—N2—H2A107.0C30—C25—C26119.3 (3)
C3—N3—O2116.8 (2)C30—C25—C3120.2 (3)
C3—N3—Cu2120.5 (2)C26—C25—C3120.4 (3)
O2—N3—Cu2121.92 (18)C27—C26—C25119.7 (3)
C37—N4—C4112.0 (2)C27—C26—H26120.2
C37—N4—Cu2119.62 (18)C25—C26—H26120.2
C4—N4—Cu2111.78 (17)C26—C27—C28120.6 (4)
C37—N4—H4103.8C26—C27—H27119.7
C4—N4—H4103.8C28—C27—H27119.7
Cu2—N4—H4103.8C29—C28—C27120.2 (4)
N1—C1—C7126.5 (3)C29—C28—H28119.9
N1—C1—C2114.4 (2)C27—C28—H28119.9
C7—C1—C2119.0 (3)C28—C29—C30119.8 (3)
C13—C2—C1114.9 (2)C28—C29—H29120.1
C13—C2—N2110.6 (2)C30—C29—H29120.1
C1—C2—N2110.5 (2)C29—C30—C25120.5 (3)
C13—C2—H2B106.8C29—C30—H30119.8
C1—C2—H2B106.8C25—C30—H30119.8
N2—C2—H2B106.8C32—C31—C36120.1 (3)
N3—C3—C25126.3 (3)C32—C31—C4120.0 (3)
N3—C3—C4115.2 (2)C36—C31—C4119.9 (3)
C25—C3—C4118.5 (3)C31—C32—C33119.5 (3)
N4—C4—C3110.2 (2)C31—C32—H32120.2
N4—C4—C31111.0 (2)C33—C32—H32120.2
C3—C4—C31113.7 (2)C34—C33—C32120.5 (3)
N4—C4—H4A107.2C34—C33—H33119.7
C3—C4—H4A107.2C32—C33—H33119.7
C31—C4—H4A107.2C33—C34—C35120.4 (3)
C22—C5—H5A109.5C33—C34—H34119.8
C22—C5—H5B109.5C35—C34—H34119.8
H5A—C5—H5B109.5C34—C35—C36119.8 (3)
C22—C5—H5C109.5C34—C35—H35120.1
H5A—C5—H5C109.5C36—C35—H35120.1
H5B—C5—H5C109.5C31—C36—C35119.8 (3)
C40—C6—H6A109.5C31—C36—H36120.1
C40—C6—H6B109.5C35—C36—H36120.1
H6A—C6—H6B109.5C38—C37—C42119.9 (3)
C40—C6—H6C109.5C38—C37—N4119.6 (3)
H6A—C6—H6C109.5C42—C37—N4120.5 (3)
H6B—C6—H6C109.5C37—C38—C39119.6 (3)
C8—C7—C12118.6 (3)C37—C38—H38120.2
C8—C7—C1121.7 (3)C39—C38—H38120.2
C12—C7—C1119.7 (3)C40—C39—C38121.8 (3)
C9—C8—C7119.8 (3)C40—C39—H39119.1
C9—C8—H8120.1C38—C39—H39119.1
C7—C8—H8120.1C39—C40—C41117.6 (3)
C10—C9—C8121.5 (3)C39—C40—C6121.3 (3)
C10—C9—H9119.3C41—C40—C6121.1 (3)
C8—C9—H9119.3C40—C41—C42121.9 (3)
C9—C10—C11119.1 (3)C40—C41—H41119.1
C9—C10—H10120.4C42—C41—H41119.1
C11—C10—H10120.4C37—C42—C41119.1 (3)
C10—C11—C12120.7 (3)C37—C42—H42120.4
C10—C11—H11119.6C41—C42—H42120.4
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1—H1···Cl10.842.312.996 (2)140
O2—H2···Cl20.842.363.041 (2)139
N2—H2A···Cl20.932.793.649 (2)154
N4—H4···Cl10.932.873.723 (3)153
 

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