Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806051890/kp2064sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806051890/kp2064Isup2.hkl |
CCDC reference: 633903
Key indicators
- Single-crystal X-ray study
- T = 298 K
- Mean (C-C) = 0.005 Å
- R factor = 0.045
- wR factor = 0.108
- Data-to-parameter ratio = 14.8
checkCIF/PLATON results
No syntax errors found
Alert level C PLAT143_ALERT_4_C su on c - Axis Small or Missing (x 100000) ..... 10 Ang. PLAT145_ALERT_4_C su on beta Small or Missing (x 10000) ..... 4 Deg. PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.82 Ratio PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C25 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Cu1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N3 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C21
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 7 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 5 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
Data collection: SMART (Siemens, 1996); cell refinement: SMART and SAINT (Siemens, 1994); data reduction: XPREP; program(s) used to solve structure: SHELXTL (Siemens, 1994); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.
[Cu2(C13H10NO2)4(C3H7NO)2] | F(000) = 1164 |
Mr = 1122.15 | Dx = 1.378 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2yn | Cell parameters from 6218 reflections |
a = 14.1539 (3) Å | θ = 1.7–25.7° |
b = 11.0440 (2) Å | µ = 0.85 mm−1 |
c = 17.8517 (1) Å | T = 298 K |
β = 104.2397 (4)° | Prism, blue |
V = 2704.76 (8) Å3 | 0.20 × 0.15 × 0.12 mm |
Z = 2 |
Siemens SMART CCD diffractometer | 5115 independent reflections |
Radiation source: fine-focus sealed tube | 3784 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.038 |
ω scans | θmax = 25.7°, θmin = 1.7° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −17→17 |
Tmin = 0.868, Tmax = 0.903 | k = −13→13 |
14382 measured reflections | l = −11→21 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.045 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.108 | H-atom parameters constrained |
S = 1.11 | w = 1/[σ2(Fo2) + (0.0371P)2 + 2.0208P] where P = (Fo2 + 2Fc2)/3 |
5115 reflections | (Δ/σ)max < 0.001 |
345 parameters | Δρmax = 0.27 e Å−3 |
0 restraints | Δρmin = −0.35 e Å−3 |
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. |
x | y | z | Uiso*/Ueq | ||
Cu1 | 0.04042 (3) | 0.43490 (3) | 0.06066 (2) | 0.03512 (12) | |
O1 | 0.02261 (18) | 0.58387 (19) | 0.11533 (12) | 0.0532 (6) | |
O2 | −0.04433 (17) | 0.69665 (19) | 0.01263 (12) | 0.0489 (6) | |
O3 | 0.09537 (16) | 0.6088 (2) | −0.05745 (13) | 0.0509 (6) | |
O4 | 0.16428 (16) | 0.4985 (2) | 0.04613 (13) | 0.0524 (6) | |
O5 | 0.10172 (18) | 0.3407 (2) | 0.16674 (13) | 0.0563 (6) | |
N1 | 0.0317 (2) | 0.6693 (3) | 0.25490 (16) | 0.0597 (8) | |
H1 | 0.0177 | 0.6057 | 0.2266 | 0.072* | |
N2 | 0.2083 (2) | 0.7233 (3) | −0.13236 (16) | 0.0552 (8) | |
H2 | 0.1518 | 0.7239 | −0.1225 | 0.066* | |
N3 | 0.1792 (2) | 0.1799 (3) | 0.23311 (19) | 0.0640 (9) | |
C1 | −0.0131 (2) | 0.6826 (3) | 0.08482 (19) | 0.0423 (7) | |
C2 | −0.0204 (2) | 0.7865 (3) | 0.13647 (18) | 0.0433 (7) | |
C3 | −0.0523 (3) | 0.8970 (3) | 0.1017 (2) | 0.0585 (10) | |
H3 | −0.0662 | 0.9033 | 0.0482 | 0.070* | |
C4 | −0.0639 (3) | 0.9974 (3) | 0.1446 (2) | 0.0749 (12) | |
H4 | −0.0853 | 1.0705 | 0.1204 | 0.090* | |
C5 | −0.0429 (3) | 0.9875 (4) | 0.2242 (3) | 0.0743 (12) | |
H5 | −0.0508 | 1.0545 | 0.2536 | 0.089* | |
C6 | −0.0109 (3) | 0.8811 (3) | 0.2603 (2) | 0.0599 (10) | |
H6 | 0.0024 | 0.8769 | 0.3140 | 0.072* | |
C7 | 0.0024 (2) | 0.7777 (3) | 0.21820 (19) | 0.0462 (8) | |
C8 | 0.0813 (3) | 0.6485 (3) | 0.33239 (18) | 0.0504 (8) | |
C9 | 0.1508 (3) | 0.7267 (3) | 0.3750 (2) | 0.0579 (9) | |
H9 | 0.1622 | 0.8006 | 0.3539 | 0.069* | |
C10 | 0.2029 (3) | 0.6960 (4) | 0.4480 (2) | 0.0730 (12) | |
H10 | 0.2489 | 0.7497 | 0.4761 | 0.088* | |
C11 | 0.1879 (4) | 0.5872 (5) | 0.4798 (3) | 0.0877 (14) | |
H11 | 0.2240 | 0.5662 | 0.5290 | 0.105* | |
C12 | 0.1193 (4) | 0.5097 (5) | 0.4386 (3) | 0.0944 (15) | |
H12 | 0.1083 | 0.4360 | 0.4602 | 0.113* | |
C13 | 0.0658 (3) | 0.5396 (4) | 0.3651 (2) | 0.0754 (12) | |
H13 | 0.0193 | 0.4859 | 0.3377 | 0.091* | |
C14 | 0.1695 (2) | 0.5694 (3) | −0.00796 (17) | 0.0405 (7) | |
C15 | 0.2681 (2) | 0.6110 (3) | −0.01276 (18) | 0.0415 (7) | |
C16 | 0.3476 (2) | 0.5714 (3) | 0.04471 (19) | 0.0528 (9) | |
H16 | 0.3365 | 0.5220 | 0.0838 | 0.063* | |
C17 | 0.4421 (3) | 0.6027 (4) | 0.0457 (2) | 0.0684 (11) | |
H17 | 0.4940 | 0.5772 | 0.0854 | 0.082* | |
C18 | 0.4574 (3) | 0.6733 (4) | −0.0143 (2) | 0.0678 (11) | |
H18 | 0.5208 | 0.6944 | −0.0149 | 0.081* | |
C19 | 0.3821 (2) | 0.7129 (3) | −0.0723 (2) | 0.0546 (9) | |
H19 | 0.3952 | 0.7598 | −0.1119 | 0.065* | |
C20 | 0.2854 (2) | 0.6840 (3) | −0.07345 (18) | 0.0439 (7) | |
C21 | 0.2123 (2) | 0.7624 (3) | −0.20698 (19) | 0.0465 (8) | |
C22 | 0.2676 (3) | 0.8589 (4) | −0.2212 (2) | 0.0670 (11) | |
H22 | 0.3066 | 0.9018 | −0.1803 | 0.080* | |
C23 | 0.2647 (3) | 0.8914 (4) | −0.2968 (3) | 0.0774 (13) | |
H23 | 0.3032 | 0.9553 | −0.3058 | 0.093* | |
C24 | 0.2081 (4) | 0.8331 (5) | −0.3570 (3) | 0.0845 (14) | |
H24 | 0.2079 | 0.8554 | −0.4072 | 0.101* | |
C25 | 0.1500 (4) | 0.7399 (4) | −0.3436 (3) | 0.0994 (17) | |
H25 | 0.1086 | 0.7004 | −0.3848 | 0.119* | |
C26 | 0.1535 (3) | 0.7057 (4) | −0.2695 (2) | 0.0733 (12) | |
H26 | 0.1147 | 0.6416 | −0.2612 | 0.088* | |
C27 | 0.1280 (3) | 0.2342 (3) | 0.1703 (2) | 0.0549 (9) | |
H27 | 0.1105 | 0.1885 | 0.1253 | 0.066* | |
C28 | 0.2127 (4) | 0.2477 (5) | 0.3032 (3) | 0.114 (2) | |
H28A | 0.1800 | 0.3245 | 0.2984 | 0.171* | |
H28B | 0.2818 | 0.2605 | 0.3126 | 0.171* | |
H28C | 0.1989 | 0.2034 | 0.3456 | 0.171* | |
C29 | 0.2090 (3) | 0.0541 (4) | 0.2321 (3) | 0.0990 (17) | |
H29A | 0.1776 | 0.0069 | 0.2641 | 0.149* | |
H29B | 0.2784 | 0.0484 | 0.2514 | 0.149* | |
H29C | 0.1907 | 0.0240 | 0.1801 | 0.149* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Cu1 | 0.0396 (2) | 0.0335 (2) | 0.0311 (2) | 0.00152 (17) | 0.00665 (14) | 0.00230 (16) |
O1 | 0.0789 (17) | 0.0387 (13) | 0.0383 (12) | 0.0106 (12) | 0.0071 (11) | −0.0041 (10) |
O2 | 0.0639 (15) | 0.0424 (13) | 0.0376 (13) | 0.0086 (11) | 0.0073 (11) | −0.0047 (10) |
O3 | 0.0398 (13) | 0.0590 (14) | 0.0544 (14) | −0.0029 (11) | 0.0125 (11) | 0.0133 (11) |
O4 | 0.0437 (13) | 0.0605 (15) | 0.0520 (14) | −0.0056 (11) | 0.0100 (11) | 0.0153 (12) |
O5 | 0.0738 (17) | 0.0486 (14) | 0.0429 (13) | 0.0076 (12) | 0.0076 (12) | 0.0125 (11) |
N1 | 0.084 (2) | 0.0484 (17) | 0.0430 (17) | −0.0040 (16) | 0.0075 (15) | −0.0089 (14) |
N2 | 0.0450 (17) | 0.071 (2) | 0.0517 (18) | 0.0039 (14) | 0.0163 (14) | 0.0145 (15) |
N3 | 0.062 (2) | 0.060 (2) | 0.069 (2) | 0.0070 (16) | 0.0136 (17) | 0.0297 (17) |
C1 | 0.0395 (17) | 0.0409 (18) | 0.0459 (19) | −0.0003 (14) | 0.0095 (14) | −0.0068 (15) |
C2 | 0.0380 (17) | 0.0417 (18) | 0.0482 (19) | 0.0011 (14) | 0.0067 (14) | −0.0085 (15) |
C3 | 0.062 (2) | 0.050 (2) | 0.057 (2) | 0.0102 (17) | 0.0039 (18) | −0.0090 (17) |
C4 | 0.087 (3) | 0.050 (2) | 0.076 (3) | 0.023 (2) | −0.002 (2) | −0.015 (2) |
C5 | 0.078 (3) | 0.065 (3) | 0.074 (3) | 0.020 (2) | 0.006 (2) | −0.031 (2) |
C6 | 0.063 (2) | 0.064 (2) | 0.053 (2) | 0.0061 (19) | 0.0143 (18) | −0.0200 (19) |
C7 | 0.0425 (18) | 0.052 (2) | 0.0434 (19) | −0.0002 (15) | 0.0083 (15) | −0.0109 (16) |
C8 | 0.054 (2) | 0.062 (2) | 0.0366 (18) | −0.0007 (17) | 0.0142 (16) | −0.0096 (16) |
C9 | 0.056 (2) | 0.064 (2) | 0.057 (2) | −0.0042 (19) | 0.0213 (19) | −0.0134 (19) |
C10 | 0.058 (3) | 0.099 (3) | 0.057 (3) | −0.004 (2) | 0.006 (2) | −0.022 (2) |
C11 | 0.080 (3) | 0.123 (4) | 0.051 (3) | 0.001 (3) | −0.001 (2) | 0.005 (3) |
C12 | 0.098 (4) | 0.109 (4) | 0.069 (3) | −0.012 (3) | 0.006 (3) | 0.033 (3) |
C13 | 0.076 (3) | 0.078 (3) | 0.065 (3) | −0.022 (2) | 0.004 (2) | 0.008 (2) |
C14 | 0.0440 (18) | 0.0386 (16) | 0.0404 (17) | −0.0019 (15) | 0.0131 (14) | −0.0068 (15) |
C15 | 0.0409 (18) | 0.0439 (17) | 0.0408 (18) | −0.0005 (14) | 0.0118 (14) | −0.0062 (14) |
C16 | 0.0465 (19) | 0.070 (2) | 0.0426 (19) | 0.0019 (18) | 0.0121 (15) | 0.0083 (18) |
C17 | 0.047 (2) | 0.100 (3) | 0.056 (2) | 0.002 (2) | 0.0076 (18) | 0.013 (2) |
C18 | 0.044 (2) | 0.098 (3) | 0.064 (3) | −0.007 (2) | 0.0184 (19) | 0.005 (2) |
C19 | 0.047 (2) | 0.071 (2) | 0.048 (2) | −0.0061 (18) | 0.0171 (17) | 0.0060 (18) |
C20 | 0.0472 (19) | 0.0452 (18) | 0.0410 (18) | −0.0009 (15) | 0.0140 (15) | −0.0040 (15) |
C21 | 0.0479 (19) | 0.0456 (19) | 0.0456 (19) | 0.0056 (15) | 0.0109 (16) | 0.0063 (15) |
C22 | 0.072 (3) | 0.067 (3) | 0.060 (2) | −0.019 (2) | 0.011 (2) | 0.006 (2) |
C23 | 0.077 (3) | 0.086 (3) | 0.072 (3) | −0.014 (2) | 0.023 (2) | 0.026 (3) |
C24 | 0.108 (4) | 0.093 (3) | 0.053 (3) | 0.007 (3) | 0.019 (3) | 0.015 (2) |
C25 | 0.144 (5) | 0.079 (3) | 0.060 (3) | −0.017 (3) | −0.006 (3) | 0.006 (2) |
C26 | 0.082 (3) | 0.064 (3) | 0.062 (3) | −0.014 (2) | −0.005 (2) | 0.013 (2) |
C27 | 0.057 (2) | 0.056 (2) | 0.051 (2) | 0.0030 (18) | 0.0121 (17) | 0.0132 (18) |
C28 | 0.153 (5) | 0.099 (4) | 0.067 (3) | −0.006 (4) | −0.018 (3) | 0.034 (3) |
C29 | 0.088 (3) | 0.070 (3) | 0.146 (5) | 0.028 (3) | 0.043 (3) | 0.052 (3) |
Cu1—O1 | 1.961 (2) | C10—C11 | 1.368 (6) |
Cu1—O4 | 1.964 (2) | C10—H10 | 0.9300 |
Cu1—O2i | 1.965 (2) | C11—C12 | 1.366 (7) |
Cu1—O3i | 1.969 (2) | C11—H11 | 0.9300 |
Cu1—O5 | 2.148 (2) | C12—C13 | 1.384 (6) |
Cu1—Cu1i | 2.6168 (7) | C12—H12 | 0.9300 |
O1—C1 | 1.267 (4) | C13—H13 | 0.9300 |
O2—C1 | 1.265 (4) | C14—C15 | 1.492 (4) |
O2—Cu1i | 1.965 (2) | C15—C16 | 1.394 (4) |
O3—C14 | 1.271 (4) | C15—C20 | 1.419 (4) |
O3—Cu1i | 1.969 (2) | C16—C17 | 1.377 (5) |
O4—C14 | 1.260 (4) | C16—H16 | 0.9300 |
O5—C27 | 1.230 (4) | C17—C18 | 1.384 (5) |
N1—C7 | 1.379 (4) | C17—H17 | 0.9300 |
N1—C8 | 1.408 (4) | C18—C19 | 1.363 (5) |
N1—H1 | 0.8600 | C18—H18 | 0.9300 |
N2—C20 | 1.386 (4) | C19—C20 | 1.402 (4) |
N2—C21 | 1.415 (4) | C19—H19 | 0.9300 |
N2—H2 | 0.8600 | C21—C26 | 1.369 (5) |
N3—C27 | 1.319 (4) | C21—C22 | 1.382 (5) |
N3—C28 | 1.435 (6) | C22—C23 | 1.387 (5) |
N3—C29 | 1.453 (5) | C22—H22 | 0.9300 |
C1—C2 | 1.491 (4) | C23—C24 | 1.337 (6) |
C2—C3 | 1.393 (5) | C23—H23 | 0.9300 |
C2—C7 | 1.418 (4) | C24—C25 | 1.374 (6) |
C3—C4 | 1.380 (5) | C24—H24 | 0.9300 |
C3—H3 | 0.9300 | C25—C26 | 1.364 (6) |
C4—C5 | 1.382 (6) | C25—H25 | 0.9300 |
C4—H4 | 0.9300 | C26—H26 | 0.9300 |
C5—C6 | 1.363 (5) | C27—H27 | 0.9300 |
C5—H5 | 0.9300 | C28—H28A | 0.9600 |
C6—C7 | 1.405 (4) | C28—H28B | 0.9600 |
C6—H6 | 0.9300 | C28—H28C | 0.9600 |
C8—C13 | 1.378 (5) | C29—H29A | 0.9600 |
C8—C9 | 1.388 (5) | C29—H29B | 0.9600 |
C9—C10 | 1.373 (5) | C29—H29C | 0.9600 |
C9—H9 | 0.9300 | ||
O1—Cu1—O4 | 89.66 (10) | C10—C11—H11 | 120.4 |
O1—Cu1—O2i | 168.52 (9) | C11—C12—C13 | 120.8 (5) |
O4—Cu1—O2i | 90.23 (10) | C11—C12—H12 | 119.6 |
O1—Cu1—O3i | 88.63 (10) | C13—C12—H12 | 119.6 |
O4—Cu1—O3i | 168.68 (9) | C8—C13—C12 | 120.2 (4) |
O2i—Cu1—O3i | 89.23 (10) | C8—C13—H13 | 119.9 |
O1—Cu1—O5 | 92.36 (9) | C12—C13—H13 | 119.9 |
O4—Cu1—O5 | 96.28 (9) | O4—C14—O3 | 123.5 (3) |
O2i—Cu1—O5 | 99.06 (9) | O4—C14—C15 | 117.9 (3) |
O3i—Cu1—O5 | 94.97 (9) | O3—C14—C15 | 118.6 (3) |
O1—Cu1—Cu1i | 82.37 (7) | C16—C15—C20 | 118.7 (3) |
O4—Cu1—Cu1i | 85.25 (7) | C16—C15—C14 | 117.3 (3) |
O2i—Cu1—Cu1i | 86.18 (6) | C20—C15—C14 | 123.9 (3) |
O3i—Cu1—Cu1i | 83.44 (7) | C17—C16—C15 | 122.5 (3) |
O5—Cu1—Cu1i | 174.52 (7) | C17—C16—H16 | 118.8 |
C1—O1—Cu1 | 126.5 (2) | C15—C16—H16 | 118.8 |
C1—O2—Cu1i | 121.9 (2) | C16—C17—C18 | 117.8 (3) |
C14—O3—Cu1i | 124.7 (2) | C16—C17—H17 | 121.1 |
C14—O4—Cu1 | 123.1 (2) | C18—C17—H17 | 121.1 |
C27—O5—Cu1 | 124.1 (2) | C19—C18—C17 | 121.9 (3) |
C7—N1—C8 | 128.9 (3) | C19—C18—H18 | 119.1 |
C7—N1—H1 | 115.6 | C17—C18—H18 | 119.1 |
C8—N1—H1 | 115.6 | C18—C19—C20 | 121.1 (3) |
C20—N2—C21 | 127.1 (3) | C18—C19—H19 | 119.5 |
C20—N2—H2 | 116.4 | C20—C19—H19 | 119.5 |
C21—N2—H2 | 116.4 | N2—C20—C19 | 121.6 (3) |
C27—N3—C28 | 119.9 (3) | N2—C20—C15 | 120.4 (3) |
C27—N3—C29 | 121.6 (4) | C19—C20—C15 | 118.0 (3) |
C28—N3—C29 | 118.3 (4) | C26—C21—C22 | 117.5 (3) |
O2—C1—O1 | 123.1 (3) | C26—C21—N2 | 118.1 (3) |
O2—C1—C2 | 118.4 (3) | C22—C21—N2 | 124.4 (3) |
O1—C1—C2 | 118.5 (3) | C21—C22—C23 | 119.7 (4) |
C3—C2—C7 | 119.0 (3) | C21—C22—H22 | 120.2 |
C3—C2—C1 | 117.6 (3) | C23—C22—H22 | 120.2 |
C7—C2—C1 | 123.4 (3) | C24—C23—C22 | 121.7 (4) |
C4—C3—C2 | 121.8 (4) | C24—C23—H23 | 119.1 |
C4—C3—H3 | 119.1 | C22—C23—H23 | 119.1 |
C2—C3—H3 | 119.1 | C23—C24—C25 | 119.1 (4) |
C3—C4—C5 | 118.8 (4) | C23—C24—H24 | 120.4 |
C3—C4—H4 | 120.6 | C25—C24—H24 | 120.4 |
C5—C4—H4 | 120.6 | C26—C25—C24 | 119.7 (4) |
C6—C5—C4 | 121.2 (4) | C26—C25—H25 | 120.1 |
C6—C5—H5 | 119.4 | C24—C25—H25 | 120.1 |
C4—C5—H5 | 119.4 | C25—C26—C21 | 122.2 (4) |
C5—C6—C7 | 121.3 (3) | C25—C26—H26 | 118.9 |
C5—C6—H6 | 119.4 | C21—C26—H26 | 118.9 |
C7—C6—H6 | 119.4 | O5—C27—N3 | 125.1 (4) |
N1—C7—C6 | 121.0 (3) | O5—C27—H27 | 117.5 |
N1—C7—C2 | 120.9 (3) | N3—C27—H27 | 117.5 |
C6—C7—C2 | 118.0 (3) | N3—C28—H28A | 109.5 |
C13—C8—C9 | 118.5 (3) | N3—C28—H28B | 109.5 |
C13—C8—N1 | 117.8 (3) | H28A—C28—H28B | 109.5 |
C9—C8—N1 | 123.5 (3) | N3—C28—H28C | 109.5 |
C10—C9—C8 | 120.7 (4) | H28A—C28—H28C | 109.5 |
C10—C9—H9 | 119.7 | H28B—C28—H28C | 109.5 |
C8—C9—H9 | 119.7 | N3—C29—H29A | 109.5 |
C11—C10—C9 | 120.6 (4) | N3—C29—H29B | 109.5 |
C11—C10—H10 | 119.7 | H29A—C29—H29B | 109.5 |
C9—C10—H10 | 119.7 | N3—C29—H29C | 109.5 |
C12—C11—C10 | 119.3 (4) | H29A—C29—H29C | 109.5 |
C12—C11—H11 | 120.4 | H29B—C29—H29C | 109.5 |
Symmetry code: (i) −x, −y+1, −z. |
D—H···A | D—H | H···A | D···A | D—H···A |
N1—H1···O1 | 0.86 | 2.02 | 2.638 (3) | 128 |
N2—H2···O3 | 0.86 | 2.01 | 2.644 (3) | 129 |
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