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The title compound, C31H26ClNO2·C3H7NO, was synthesized by the reaction of 2-chloro­benzaldehyde, 5,5-dimethyl-3-(4-methyl­anilino)cyclo­hex-2-enone and 1,3-indene­dione in an ionic liquid medium. The 1,4-dihydro­pyridine ring adopts a boat conformation, while the cyclo­hexenone ring adopts an envelope conformation. In the crystal structure, C—H...O hydrogen bonds link the indeno[1,2-b]quinoline mol­ecules and the dimethyl­formamide solvent mol­ecules to form a three-dimensional network.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806046952/sj2146sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806046952/sj2146Isup2.hkl
Contains datablock I

CCDC reference: 609556

Key indicators

  • Single-crystal X-ray study
  • T = 153 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.062
  • wR factor = 0.158
  • Data-to-parameter ratio = 13.8

checkCIF/PLATON results

No syntax errors found



Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR') is < 0.90 Tmin and Tmax reported: 0.688 0.974 Tmin(prime) and Tmax expected: 0.886 0.974 RR(prime) = 0.776 Please check that your absorption correction is appropriate. PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large ............. 0.77 PLAT063_ALERT_3_C Crystal Probably too Large for Beam Size ....... 0.68 mm PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.31
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 4 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 1 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 0 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: CrystalClear (Rigaku, 1999); cell refinement: CrystalClear; data reduction: CrystalStructure (Rigaku/MSC, 2003); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXL97.

5-(2-Chlorophenyl)-7,7-dimethyl-10-(4-methylphenyl)-7,8-dihydro-5H- indeno[1,2-b]quinoline-9,11(6H,10H)-dione dimethylformamide solvate top
Crystal data top
C31H26ClNO2·C3H7NOZ = 2
Mr = 553.07F(000) = 584
Triclinic, P1Dx = 1.315 Mg m3
Hall symbol: -P 1Melting point = 536–538 K
a = 10.872 (2) ÅMo Kα radiation, λ = 0.71070 Å
b = 11.655 (2) ÅCell parameters from 5152 reflections
c = 11.689 (2) Åθ = 3.0–25.3°
α = 92.100 (4)°µ = 0.18 mm1
β = 99.730 (4)°T = 153 K
γ = 106.147 (4)°Block, red
V = 1396.8 (4) Å30.68 × 0.23 × 0.15 mm
Data collection top
Rigaku Mercury
diffractometer
5071 independent reflections
Radiation source: fine-focus sealed tube4222 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.032
Detector resolution: 7.31 pixels mm-1θmax = 25.4°, θmin = 3.0°
ω scansh = 1313
Absorption correction: multi-scan
(Jacobson, 1998)
k = 1214
Tmin = 0.688, Tmax = 0.974l = 1414
13755 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)] = 0.062Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.158H-atom parameters constrained
S = 1.08 w = 1/[σ2(Fo2) + (0.0722P)2 + 1.2467P]
where P = (Fo2 + 2Fc2)/3
5071 reflections(Δ/σ)max < 0.001
367 parametersΔρmax = 0.91 e Å3
0 restraintsΔρmin = 0.39 e Å3
Special details top

Experimental. Elemental analysis, calculated: C 73.83, H 6.01, N 5.06%; found: C 73.89, H 5.90, N 5.01%. Spectroscopic analysis: 1H NMR (DMSO-d6, δ, p.p.m.): 0.83 (s, 3H, CH3), 0.93 (s, 3H, CH3), 2.00 (d, J = 16.8 Hz, 2H, 2CH), 2.24 (d, J = 16.4 Hz, 1H, CH), 2.36 (d, J = 17.6 Hz, 1H, CH), 2.50 (s, 3H, CH3), 2.74 (s, 3H, CH3), 2.89 (s, 3H, CH3), 5.18 (d, J = 7.6 Hz, 1H, ArH), 5.24 (s, 1H, CH), 6.98–7.03 (m, 1H, ArH), 7.13–7.20 (m, 3H, ArH), 7.25–7.32 (m, 2H, ArH), 7.49–7.58 (m, 5H, ArH), 7.96 (s, 1H, CHO); IR (Medium?, ν, cm-1): 3059 (ArH), 2957, 2933, 2857 (C—H), 1673, 1644 (C O), 1590, 1558, 1511, 1456, 1439 (benzene ring).

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
Cl10.93127 (7)0.33089 (7)0.46385 (6)0.0358 (2)
O10.64581 (18)0.23371 (18)0.59852 (17)0.0334 (5)
O20.83587 (17)0.56520 (17)0.29727 (18)0.0322 (5)
O30.2632 (3)1.0365 (2)0.0912 (2)0.0625 (8)
N10.3900 (2)0.38083 (19)0.30245 (19)0.0234 (5)
N20.1258 (3)0.8918 (2)0.1689 (2)0.0365 (6)
C10.4059 (2)0.3141 (2)0.3997 (2)0.0227 (6)
C20.5245 (2)0.3047 (2)0.4479 (2)0.0222 (6)
C30.6471 (2)0.3554 (2)0.3987 (2)0.0227 (6)
H30.72050.39600.46400.027*
C40.6215 (2)0.4466 (2)0.3173 (2)0.0224 (6)
C50.5000 (2)0.4502 (2)0.2691 (2)0.0218 (5)
C60.5387 (3)0.2415 (2)0.5540 (2)0.0237 (6)
C70.4204 (3)0.1914 (2)0.6075 (2)0.0269 (6)
H7A0.41570.25250.66630.032*
H7B0.43090.12090.64850.032*
C80.2922 (3)0.1537 (2)0.5198 (2)0.0257 (6)
C90.2847 (3)0.2586 (2)0.4465 (2)0.0260 (6)
H9A0.21060.23000.38030.031*
H9B0.26630.32120.49480.031*
C100.2867 (3)0.0432 (3)0.4422 (3)0.0403 (7)
H10A0.35900.06260.39940.061*
H10B0.20380.01840.38680.061*
H10C0.29400.02240.49060.061*
C110.1758 (3)0.1252 (3)0.5824 (3)0.0327 (7)
H11A0.17900.05870.63060.049*
H11B0.09460.10270.52470.049*
H11C0.17940.19610.63210.049*
C120.7169 (2)0.5381 (2)0.2706 (2)0.0230 (6)
C130.6401 (2)0.5963 (2)0.1849 (2)0.0223 (6)
C140.6831 (3)0.6895 (2)0.1196 (2)0.0273 (6)
H140.77370.72520.12270.033*
C150.5904 (3)0.7306 (3)0.0482 (2)0.0306 (6)
H150.61760.79570.00290.037*
C160.4598 (3)0.6765 (3)0.0438 (3)0.0329 (7)
H160.39770.70440.00600.039*
C170.4156 (3)0.5814 (2)0.1107 (2)0.0287 (6)
H170.32500.54490.10650.034*
C180.5066 (2)0.5424 (2)0.1825 (2)0.0226 (5)
C190.6853 (3)0.2587 (2)0.3328 (2)0.0245 (6)
C200.8103 (3)0.2455 (2)0.3522 (2)0.0279 (6)
C210.8433 (3)0.1634 (3)0.2831 (3)0.0352 (7)
H210.92960.15680.29720.042*
C220.7516 (3)0.0916 (3)0.1944 (3)0.0385 (7)
H220.77470.03660.14630.046*
C230.6248 (3)0.1000 (3)0.1756 (3)0.0365 (7)
H230.56030.04900.11600.044*
C240.5928 (3)0.1826 (2)0.2438 (2)0.0295 (6)
H240.50600.18790.23000.035*
C250.2614 (2)0.3835 (2)0.2466 (2)0.0210 (5)
C260.2064 (2)0.4663 (2)0.2876 (2)0.0235 (6)
H260.25240.52190.35260.028*
C270.0833 (3)0.4677 (2)0.2331 (2)0.0256 (6)
H270.04490.52410.26170.031*
C280.0154 (2)0.3881 (2)0.1377 (2)0.0251 (6)
C290.0727 (3)0.3048 (2)0.0989 (2)0.0266 (6)
H290.02690.24920.03390.032*
C300.1951 (2)0.3011 (2)0.1528 (2)0.0234 (6)
H300.23270.24310.12600.028*
C310.1181 (3)0.3900 (3)0.0782 (3)0.0352 (7)
H31A0.18300.34880.12310.053*
H31B0.13820.34920.00040.053*
H31C0.12000.47330.07310.053*
C320.2359 (4)0.9391 (3)0.1391 (3)0.0496 (9)
H320.30090.89870.15390.059*
C330.0236 (4)0.9551 (3)0.1574 (3)0.0505 (9)
H33A0.05961.03660.13610.076*
H33B0.00590.95910.23180.076*
H33C0.05030.91150.09680.076*
C340.0943 (3)0.7840 (3)0.2262 (3)0.0408 (8)
H34A0.16840.75060.23620.061*
H34B0.01790.72570.17890.061*
H34C0.07500.80190.30270.061*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cl10.0233 (4)0.0461 (5)0.0382 (4)0.0104 (3)0.0047 (3)0.0101 (3)
O10.0262 (11)0.0430 (12)0.0324 (11)0.0129 (9)0.0029 (9)0.0110 (9)
O20.0177 (10)0.0342 (11)0.0446 (12)0.0054 (8)0.0082 (8)0.0082 (9)
O30.0813 (19)0.0345 (13)0.0727 (18)0.0023 (13)0.0478 (15)0.0109 (12)
N10.0166 (11)0.0275 (12)0.0249 (11)0.0031 (9)0.0045 (9)0.0091 (9)
N20.0425 (15)0.0283 (13)0.0308 (13)0.0017 (11)0.0038 (11)0.0080 (10)
C10.0228 (13)0.0229 (13)0.0213 (13)0.0040 (10)0.0052 (11)0.0030 (10)
C20.0201 (13)0.0245 (13)0.0215 (13)0.0051 (10)0.0045 (10)0.0022 (10)
C30.0168 (12)0.0270 (14)0.0231 (13)0.0050 (10)0.0027 (10)0.0027 (10)
C40.0186 (13)0.0220 (13)0.0260 (14)0.0044 (10)0.0048 (11)0.0001 (10)
C50.0200 (13)0.0225 (13)0.0220 (13)0.0037 (10)0.0061 (10)0.0011 (10)
C60.0263 (14)0.0231 (13)0.0210 (13)0.0069 (11)0.0035 (11)0.0014 (10)
C70.0299 (15)0.0292 (15)0.0215 (13)0.0070 (12)0.0062 (11)0.0067 (11)
C80.0263 (14)0.0235 (14)0.0255 (14)0.0035 (11)0.0055 (11)0.0049 (11)
C90.0214 (13)0.0287 (14)0.0278 (14)0.0045 (11)0.0073 (11)0.0112 (11)
C100.0449 (18)0.0300 (16)0.0417 (18)0.0027 (14)0.0112 (15)0.0043 (13)
C110.0311 (15)0.0328 (16)0.0330 (16)0.0035 (13)0.0107 (13)0.0111 (12)
C120.0207 (14)0.0238 (13)0.0255 (14)0.0056 (11)0.0085 (11)0.0000 (10)
C130.0218 (13)0.0211 (13)0.0247 (13)0.0050 (10)0.0080 (11)0.0018 (10)
C140.0240 (14)0.0267 (14)0.0306 (15)0.0030 (11)0.0110 (12)0.0024 (11)
C150.0324 (15)0.0308 (15)0.0295 (15)0.0059 (12)0.0120 (12)0.0110 (12)
C160.0275 (15)0.0359 (16)0.0359 (16)0.0081 (13)0.0068 (13)0.0150 (13)
C170.0203 (13)0.0318 (15)0.0330 (15)0.0041 (11)0.0063 (12)0.0094 (12)
C180.0215 (13)0.0219 (13)0.0242 (13)0.0044 (10)0.0072 (11)0.0012 (10)
C190.0262 (14)0.0281 (14)0.0222 (13)0.0097 (11)0.0082 (11)0.0097 (11)
C200.0304 (15)0.0291 (15)0.0276 (14)0.0104 (12)0.0096 (12)0.0129 (11)
C210.0397 (17)0.0378 (17)0.0411 (17)0.0223 (14)0.0214 (14)0.0179 (14)
C220.058 (2)0.0336 (17)0.0371 (17)0.0245 (15)0.0251 (16)0.0115 (13)
C230.0497 (19)0.0315 (16)0.0294 (15)0.0123 (14)0.0092 (14)0.0048 (12)
C240.0326 (15)0.0292 (15)0.0293 (15)0.0110 (12)0.0093 (12)0.0054 (12)
C250.0154 (12)0.0234 (13)0.0234 (13)0.0024 (10)0.0052 (10)0.0095 (10)
C260.0231 (13)0.0226 (13)0.0226 (13)0.0026 (11)0.0052 (11)0.0015 (10)
C270.0269 (14)0.0243 (14)0.0303 (15)0.0097 (11)0.0129 (12)0.0089 (11)
C280.0226 (13)0.0283 (14)0.0262 (14)0.0066 (11)0.0088 (11)0.0123 (11)
C290.0259 (14)0.0290 (15)0.0213 (13)0.0026 (11)0.0032 (11)0.0026 (11)
C300.0233 (13)0.0238 (14)0.0255 (14)0.0077 (11)0.0091 (11)0.0049 (11)
C310.0242 (15)0.0481 (18)0.0356 (16)0.0130 (13)0.0052 (12)0.0145 (14)
C320.050 (2)0.049 (2)0.046 (2)0.0066 (17)0.0124 (17)0.0034 (16)
C330.050 (2)0.046 (2)0.059 (2)0.0168 (17)0.0156 (18)0.0071 (17)
C340.0344 (17)0.0408 (18)0.0375 (17)0.0019 (14)0.0000 (14)0.0118 (14)
Geometric parameters (Å, º) top
Cl1—C201.738 (3)C14—H140.9500
O1—C61.222 (3)C15—C161.375 (4)
O2—C121.224 (3)C15—H150.9500
O3—C321.267 (4)C16—C171.402 (4)
N1—C51.371 (3)C16—H160.9500
N1—C11.414 (3)C17—C181.374 (4)
N1—C251.449 (3)C17—H170.9500
N2—C321.283 (4)C19—C201.392 (4)
N2—C341.429 (4)C19—C241.401 (4)
N2—C331.487 (4)C20—C211.389 (4)
C1—C21.354 (4)C21—C221.376 (5)
C1—C91.500 (4)C21—H210.9500
C2—C61.472 (4)C22—C231.389 (4)
C2—C31.517 (3)C22—H220.9500
C3—C41.505 (4)C23—C241.381 (4)
C3—C191.529 (4)C23—H230.9500
C3—H31.0000C24—H240.9500
C4—C51.358 (4)C25—C261.380 (4)
C4—C121.459 (4)C25—C301.384 (4)
C5—C181.499 (4)C26—C271.386 (4)
C6—C71.507 (4)C26—H260.9500
C7—C81.526 (4)C27—C281.383 (4)
C7—H7A0.9900C27—H270.9500
C7—H7B0.9900C28—C291.391 (4)
C8—C111.530 (4)C28—C311.507 (4)
C8—C101.531 (4)C29—C301.386 (4)
C8—C91.531 (4)C29—H290.9500
C9—H9A0.9900C30—H300.9500
C9—H9B0.9900C31—H31A0.9800
C10—H10A0.9800C31—H31B0.9800
C10—H10B0.9800C31—H31C0.9800
C10—H10C0.9800C32—H320.9500
C11—H11A0.9800C33—H33A0.9800
C11—H11B0.9800C33—H33B0.9800
C11—H11C0.9800C33—H33C0.9800
C12—C131.498 (4)C34—H34A0.9800
C13—C141.372 (4)C34—H34B0.9800
C13—C181.406 (4)C34—H34C0.9800
C14—C151.398 (4)
C5—N1—C1118.0 (2)C14—C15—H15120.1
C5—N1—C25121.3 (2)C15—C16—C17121.8 (3)
C1—N1—C25120.6 (2)C15—C16—H16119.1
C32—N2—C34125.0 (3)C17—C16—H16119.1
C32—N2—C33120.8 (3)C18—C17—C16118.4 (2)
C34—N2—C33113.9 (3)C18—C17—H17120.8
C2—C1—N1121.1 (2)C16—C17—H17120.8
C2—C1—C9123.0 (2)C17—C18—C13119.6 (2)
N1—C1—C9115.8 (2)C17—C18—C5134.6 (2)
C1—C2—C6119.6 (2)C13—C18—C5105.8 (2)
C1—C2—C3123.8 (2)C20—C19—C24117.3 (2)
C6—C2—C3116.6 (2)C20—C19—C3123.4 (2)
C4—C3—C2107.5 (2)C24—C19—C3119.2 (2)
C4—C3—C19109.5 (2)C21—C20—C19121.3 (3)
C2—C3—C19112.5 (2)C21—C20—Cl1117.3 (2)
C4—C3—H3109.1C19—C20—Cl1121.4 (2)
C2—C3—H3109.1C22—C21—C20120.3 (3)
C19—C3—H3109.1C22—C21—H21119.9
C5—C4—C12108.8 (2)C20—C21—H21119.9
C5—C4—C3123.4 (2)C21—C22—C23119.7 (3)
C12—C4—C3127.6 (2)C21—C22—H22120.2
C4—C5—N1122.5 (2)C23—C22—H22120.2
C4—C5—C18110.7 (2)C24—C23—C22119.8 (3)
N1—C5—C18126.8 (2)C24—C23—H23120.1
O1—C6—C2119.9 (2)C22—C23—H23120.1
O1—C6—C7121.4 (2)C23—C24—C19121.6 (3)
C2—C6—C7118.7 (2)C23—C24—H24119.2
C6—C7—C8114.1 (2)C19—C24—H24119.2
C6—C7—H7A108.7C26—C25—C30121.0 (2)
C8—C7—H7A108.7C26—C25—N1120.1 (2)
C6—C7—H7B108.7C30—C25—N1118.8 (2)
C8—C7—H7B108.7C25—C26—C27119.4 (2)
H7A—C7—H7B107.6C25—C26—H26120.3
C7—C8—C11110.8 (2)C27—C26—H26120.3
C7—C8—C10109.6 (2)C28—C27—C26121.1 (2)
C11—C8—C10109.5 (2)C28—C27—H27119.5
C7—C8—C9108.4 (2)C26—C27—H27119.5
C11—C8—C9108.0 (2)C27—C28—C29118.3 (2)
C10—C8—C9110.6 (2)C27—C28—C31121.0 (3)
C1—C9—C8114.4 (2)C29—C28—C31120.7 (3)
C1—C9—H9A108.7C30—C29—C28121.6 (2)
C8—C9—H9A108.7C30—C29—H29119.2
C1—C9—H9B108.7C28—C29—H29119.2
C8—C9—H9B108.7C25—C30—C29118.6 (2)
H9A—C9—H9B107.6C25—C30—H30120.7
C8—C10—H10A109.5C29—C30—H30120.7
C8—C10—H10B109.5C28—C31—H31A109.5
H10A—C10—H10B109.5C28—C31—H31B109.5
C8—C10—H10C109.5H31A—C31—H31B109.5
H10A—C10—H10C109.5C28—C31—H31C109.5
H10B—C10—H10C109.5H31A—C31—H31C109.5
C8—C11—H11A109.5H31B—C31—H31C109.5
C8—C11—H11B109.5O3—C32—N2124.0 (4)
H11A—C11—H11B109.5O3—C32—H32118.0
C8—C11—H11C109.5N2—C32—H32118.0
H11A—C11—H11C109.5N2—C33—H33A109.5
H11B—C11—H11C109.5N2—C33—H33B109.5
O2—C12—C4127.7 (2)H33A—C33—H33B109.5
O2—C12—C13126.2 (2)N2—C33—H33C109.5
C4—C12—C13106.1 (2)H33A—C33—H33C109.5
C14—C13—C18122.0 (2)H33B—C33—H33C109.5
C14—C13—C12129.4 (2)N2—C34—H34A109.5
C18—C13—C12108.6 (2)N2—C34—H34B109.5
C13—C14—C15118.3 (2)H34A—C34—H34B109.5
C13—C14—H14120.8N2—C34—H34C109.5
C15—C14—H14120.8H34A—C34—H34C109.5
C16—C15—C14119.9 (3)H34B—C34—H34C109.5
C16—C15—H15120.1
C5—N1—C1—C29.5 (4)C18—C13—C14—C150.4 (4)
C25—N1—C1—C2175.7 (2)C12—C13—C14—C15177.7 (3)
C5—N1—C1—C9168.8 (2)C13—C14—C15—C160.9 (4)
C25—N1—C1—C95.9 (3)C14—C15—C16—C171.0 (4)
N1—C1—C2—C6175.8 (2)C15—C16—C17—C180.2 (4)
C9—C1—C2—C62.4 (4)C16—C17—C18—C131.5 (4)
N1—C1—C2—C34.6 (4)C16—C17—C18—C5176.7 (3)
C9—C1—C2—C3177.2 (2)C14—C13—C18—C171.6 (4)
C1—C2—C3—C417.9 (3)C12—C13—C18—C17179.4 (2)
C6—C2—C3—C4162.5 (2)C14—C13—C18—C5177.0 (2)
C1—C2—C3—C19102.7 (3)C12—C13—C18—C50.7 (3)
C6—C2—C3—C1976.9 (3)C4—C5—C18—C17179.7 (3)
C2—C3—C4—C520.0 (3)N1—C5—C18—C173.2 (5)
C19—C3—C4—C5102.5 (3)C4—C5—C18—C131.9 (3)
C2—C3—C4—C12164.5 (2)N1—C5—C18—C13175.2 (2)
C19—C3—C4—C1273.0 (3)C4—C3—C19—C20110.3 (3)
C12—C4—C5—N1175.0 (2)C2—C3—C19—C20130.2 (3)
C3—C4—C5—N18.8 (4)C4—C3—C19—C2466.3 (3)
C12—C4—C5—C182.3 (3)C2—C3—C19—C2453.2 (3)
C3—C4—C5—C18173.9 (2)C24—C19—C20—C212.5 (4)
C1—N1—C5—C47.5 (4)C3—C19—C20—C21174.2 (2)
C25—N1—C5—C4177.8 (2)C24—C19—C20—Cl1177.5 (2)
C1—N1—C5—C18169.3 (2)C3—C19—C20—Cl15.9 (4)
C25—N1—C5—C185.4 (4)C19—C20—C21—C221.0 (4)
C1—C2—C6—O1179.3 (2)Cl1—C20—C21—C22178.9 (2)
C3—C2—C6—O11.0 (4)C20—C21—C22—C231.3 (4)
C1—C2—C6—C71.4 (4)C21—C22—C23—C241.9 (4)
C3—C2—C6—C7179.0 (2)C22—C23—C24—C190.3 (4)
O1—C6—C7—C8152.1 (2)C20—C19—C24—C231.8 (4)
C2—C6—C7—C830.0 (3)C3—C19—C24—C23175.0 (2)
C6—C7—C8—C11169.9 (2)C5—N1—C25—C2688.0 (3)
C6—C7—C8—C1069.2 (3)C1—N1—C25—C2686.5 (3)
C6—C7—C8—C951.6 (3)C5—N1—C25—C3092.5 (3)
C2—C1—C9—C822.4 (4)C1—N1—C25—C3092.9 (3)
N1—C1—C9—C8159.3 (2)C30—C25—C26—C270.7 (4)
C7—C8—C9—C147.8 (3)N1—C25—C26—C27179.9 (2)
C11—C8—C9—C1167.8 (2)C25—C26—C27—C280.6 (4)
C10—C8—C9—C172.4 (3)C26—C27—C28—C291.2 (4)
C5—C4—C12—O2176.5 (3)C26—C27—C28—C31179.8 (2)
C3—C4—C12—O27.4 (4)C27—C28—C29—C300.6 (4)
C5—C4—C12—C131.8 (3)C31—C28—C29—C30179.6 (2)
C3—C4—C12—C13174.3 (2)C26—C25—C30—C291.3 (4)
O2—C12—C13—C140.2 (4)N1—C25—C30—C29179.3 (2)
C4—C12—C13—C14178.1 (3)C28—C29—C30—C250.7 (4)
O2—C12—C13—C18177.8 (3)C34—N2—C32—O3178.0 (3)
C4—C12—C13—C180.6 (3)C33—N2—C32—O35.1 (5)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C34—H34A···O1i0.982.513.259 (4)133
C30—H30···O3ii0.952.553.444 (4)157
C15—H15···O3iii0.952.443.371 (4)167
Symmetry codes: (i) x+1, y+1, z+1; (ii) x, y1, z; (iii) x+1, y+2, z.
 

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