The title complex, [ZnCl
2(C
19H
22N
2O
4)], is a mononuclear compound; the central zinc ion is coordinated by two Cl
− ligands and two N atoms of the bis(3,4-methylenedioxybenzyl)propane-1,3-diamine in a distorted tetrahedral geometry. The complex adopts a `hawk' conformation. The molecules are linked by pairs of N—H
Cl hydrogen bonds into a
C22(8)
C22(8)[
R22(8)
R22(8)] chain of rings along the [001] direction and the molecules are linked by a pair of C—H
O and also by a pair of C—H
Cl hydrogen bonds into a chain of alternating
R22(6) rings and
R22(20) rings along the [111] direction. The combination of the [111] chain and the [001] chain generates [1
0] stacks.
Supporting information
CCDC reference: 616609
Key indicators
- Single-crystal X-ray study
- T = 298 K
- Mean (C-C) = 0.005 Å
- R factor = 0.030
- wR factor = 0.080
- Data-to-parameter ratio = 14.4
checkCIF/PLATON results
No syntax errors found
Alert level C
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Zn1 - Cl2 .. 5.44 su
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O4
PLAT480_ALERT_4_C Long H...A H-Bond Reported H11A .. O1 .. 2.72 Ang.
0 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
3 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
2 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
1 ALERT type 4 Improvement, methodology, query or suggestion
0 ALERT type 5 Informative message, check
Data collection: SMART (Siemens, 1996); cell refinement: SAINT (Siemens, 1996); data reduction: SAINT); 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: SHELXTL.
Bis[
N,
N'-bis(3,4-methylenedioxybenzyl)propane-1,3-diamine]dichlorozinc(II)
top
Crystal data top
[ZnCl2(C19H22N2O4)] | F(000) = 984 |
Mr = 478.66 | Dx = 1.531 Mg m−3 |
Monoclinic, P21/c | Melting point: 493 K |
Hall symbol: -P 2ybc | Mo Kα radiation, λ = 0.71073 Å |
a = 15.612 (4) Å | Cell parameters from 3623 reflections |
b = 12.934 (3) Å | θ = 2.6–25.4° |
c = 10.318 (3) Å | µ = 1.47 mm−1 |
β = 94.557 (3)° | T = 298 K |
V = 2076.9 (9) Å3 | Block, colourless |
Z = 4 | 0.42 × 0.22 × 0.15 mm |
Data collection top
Bruker SMART CCD area-detector diffractometer | 3650 independent reflections |
Radiation source: fine-focus sealed tube | 2705 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.029 |
φ and ω scans | θmax = 25.0°, θmin = 1.3° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −17→18 |
Tmin = 0.578, Tmax = 0.810 | k = −13→15 |
10572 measured reflections | l = −12→12 |
Refinement top
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)] = 0.030 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.080 | H-atom parameters constrained |
S = 1.08 | w = 1/[σ2(Fo2) + (0.0318P)2 + 0.8P] where P = (Fo2 + 2Fc2)/3 |
3650 reflections | (Δ/σ)max < 0.001 |
253 parameters | Δρmax = 0.35 e Å−3 |
0 restraints | Δρmin = −0.21 e Å−3 |
Special details top
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 | x | y | z | Uiso*/Ueq | |
Zn1 | 0.71993 (2) | 0.31447 (3) | 0.35088 (3) | 0.03686 (12) | |
Cl1 | 0.80701 (5) | 0.18928 (6) | 0.30126 (8) | 0.0523 (2) | |
Cl2 | 0.67054 (5) | 0.40192 (6) | 0.17281 (8) | 0.0549 (2) | |
N1 | 0.76923 (13) | 0.41748 (18) | 0.4874 (2) | 0.0383 (6) | |
H1 | 0.7842 | 0.3815 | 0.5616 | 0.046* | |
N2 | 0.61120 (14) | 0.27548 (18) | 0.4416 (2) | 0.0390 (6) | |
H2 | 0.6278 | 0.2399 | 0.5154 | 0.047* | |
O1 | 1.03020 (17) | 0.5245 (2) | 0.8567 (2) | 0.0802 (8) | |
O2 | 1.01308 (17) | 0.7023 (2) | 0.8513 (3) | 0.0778 (8) | |
O3 | 0.33469 (14) | 0.05721 (17) | 0.6252 (2) | 0.0581 (6) | |
O4 | 0.22258 (14) | 0.1311 (2) | 0.5005 (3) | 0.0766 (8) | |
C1 | 0.70058 (18) | 0.4914 (2) | 0.5161 (3) | 0.0480 (8) | |
H1A | 0.6805 | 0.5272 | 0.4368 | 0.058* | |
H1B | 0.7241 | 0.5426 | 0.5778 | 0.058* | |
C2 | 0.62548 (18) | 0.4377 (2) | 0.5715 (3) | 0.0481 (8) | |
H2A | 0.6479 | 0.3940 | 0.6427 | 0.058* | |
H2B | 0.5900 | 0.4901 | 0.6080 | 0.058* | |
C3 | 0.56836 (17) | 0.3721 (2) | 0.4790 (3) | 0.0452 (7) | |
H3A | 0.5164 | 0.3546 | 0.5199 | 0.054* | |
H3B | 0.5519 | 0.4119 | 0.4014 | 0.054* | |
C4 | 0.84834 (19) | 0.4699 (3) | 0.4470 (3) | 0.0521 (8) | |
H4A | 0.8329 | 0.5123 | 0.3712 | 0.062* | |
H4B | 0.8885 | 0.4177 | 0.4221 | 0.062* | |
C5 | 0.89242 (18) | 0.5370 (2) | 0.5519 (3) | 0.0432 (7) | |
C6 | 0.94134 (18) | 0.4897 (2) | 0.6544 (3) | 0.0456 (8) | |
H6 | 0.9480 | 0.4183 | 0.6586 | 0.055* | |
C7 | 0.97896 (18) | 0.5531 (3) | 0.7480 (3) | 0.0492 (8) | |
C8 | 0.9699 (2) | 0.6584 (3) | 0.7440 (3) | 0.0530 (9) | |
C9 | 0.9236 (2) | 0.7064 (3) | 0.6454 (4) | 0.0623 (10) | |
H9 | 0.9179 | 0.7779 | 0.6426 | 0.075* | |
C10 | 0.8847 (2) | 0.6435 (3) | 0.5482 (4) | 0.0583 (9) | |
H10 | 0.8526 | 0.6740 | 0.4786 | 0.070* | |
C11 | 1.0598 (3) | 0.6194 (4) | 0.9135 (4) | 0.0920 (15) | |
H11A | 1.0515 | 0.6194 | 1.0057 | 0.110* | |
H11B | 1.1206 | 0.6277 | 0.9034 | 0.110* | |
C12 | 0.55559 (18) | 0.2068 (2) | 0.3555 (3) | 0.0475 (8) | |
H12A | 0.5838 | 0.1402 | 0.3515 | 0.057* | |
H12B | 0.5519 | 0.2357 | 0.2685 | 0.057* | |
C13 | 0.46524 (18) | 0.1887 (2) | 0.3935 (3) | 0.0406 (7) | |
C14 | 0.44958 (18) | 0.1283 (2) | 0.5014 (3) | 0.0406 (7) | |
H14 | 0.4943 | 0.0991 | 0.5540 | 0.049* | |
C15 | 0.36593 (19) | 0.1138 (2) | 0.5261 (3) | 0.0409 (7) | |
C16 | 0.2993 (2) | 0.1570 (2) | 0.4516 (4) | 0.0526 (9) | |
C17 | 0.3121 (2) | 0.2167 (3) | 0.3474 (4) | 0.0736 (12) | |
H17 | 0.2666 | 0.2464 | 0.2969 | 0.088* | |
C18 | 0.3974 (2) | 0.2315 (3) | 0.3194 (4) | 0.0659 (10) | |
H18 | 0.4086 | 0.2719 | 0.2480 | 0.079* | |
C19 | 0.2434 (2) | 0.0562 (3) | 0.5951 (4) | 0.0677 (10) | |
H19A | 0.2252 | −0.0115 | 0.5630 | 0.081* | |
H19B | 0.2143 | 0.0710 | 0.6726 | 0.081* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Zn1 | 0.03606 (19) | 0.0413 (2) | 0.03308 (19) | 0.00045 (15) | 0.00213 (13) | −0.00102 (16) |
Cl1 | 0.0505 (4) | 0.0527 (5) | 0.0543 (5) | 0.0131 (4) | 0.0073 (4) | −0.0017 (4) |
Cl2 | 0.0688 (5) | 0.0530 (5) | 0.0408 (5) | −0.0033 (4) | −0.0092 (4) | 0.0104 (4) |
N1 | 0.0345 (12) | 0.0441 (14) | 0.0365 (14) | −0.0034 (11) | 0.0032 (10) | −0.0036 (11) |
N2 | 0.0384 (13) | 0.0437 (14) | 0.0350 (14) | 0.0015 (11) | 0.0037 (11) | 0.0008 (11) |
O1 | 0.0832 (18) | 0.088 (2) | 0.0641 (17) | −0.0190 (15) | −0.0244 (15) | 0.0087 (15) |
O2 | 0.0756 (18) | 0.084 (2) | 0.0733 (19) | −0.0230 (15) | −0.0001 (15) | −0.0262 (16) |
O3 | 0.0584 (14) | 0.0653 (15) | 0.0510 (14) | −0.0116 (11) | 0.0075 (11) | 0.0161 (12) |
O4 | 0.0423 (13) | 0.0753 (18) | 0.114 (2) | 0.0004 (12) | 0.0165 (14) | 0.0343 (17) |
C1 | 0.0471 (17) | 0.0465 (19) | 0.051 (2) | −0.0028 (15) | 0.0038 (15) | −0.0095 (16) |
C2 | 0.0408 (17) | 0.056 (2) | 0.049 (2) | 0.0038 (15) | 0.0094 (15) | −0.0089 (16) |
C3 | 0.0357 (16) | 0.0474 (19) | 0.053 (2) | 0.0026 (14) | 0.0071 (14) | −0.0030 (16) |
C4 | 0.0455 (18) | 0.064 (2) | 0.048 (2) | −0.0113 (16) | 0.0118 (15) | −0.0037 (17) |
C5 | 0.0360 (16) | 0.051 (2) | 0.0435 (18) | −0.0090 (14) | 0.0099 (14) | −0.0046 (15) |
C6 | 0.0422 (17) | 0.0413 (18) | 0.054 (2) | −0.0051 (14) | 0.0105 (15) | 0.0012 (16) |
C7 | 0.0396 (18) | 0.063 (2) | 0.0450 (19) | −0.0109 (16) | 0.0053 (15) | 0.0029 (17) |
C8 | 0.0444 (19) | 0.058 (2) | 0.058 (2) | −0.0162 (16) | 0.0117 (17) | −0.0166 (18) |
C9 | 0.058 (2) | 0.045 (2) | 0.084 (3) | −0.0051 (17) | 0.004 (2) | −0.0074 (19) |
C10 | 0.0505 (19) | 0.055 (2) | 0.068 (2) | −0.0035 (17) | −0.0045 (17) | 0.0044 (19) |
C11 | 0.097 (3) | 0.117 (4) | 0.059 (3) | −0.044 (3) | −0.014 (2) | −0.006 (3) |
C12 | 0.0496 (18) | 0.050 (2) | 0.0443 (18) | −0.0072 (15) | 0.0094 (15) | −0.0050 (15) |
C13 | 0.0422 (16) | 0.0370 (16) | 0.0426 (17) | −0.0045 (14) | 0.0042 (13) | 0.0005 (14) |
C14 | 0.0419 (16) | 0.0404 (17) | 0.0383 (17) | −0.0032 (14) | −0.0034 (13) | −0.0028 (14) |
C15 | 0.0505 (18) | 0.0346 (16) | 0.0375 (17) | −0.0076 (14) | 0.0031 (14) | −0.0039 (14) |
C16 | 0.0422 (18) | 0.0467 (19) | 0.069 (2) | −0.0016 (15) | 0.0057 (17) | 0.0098 (17) |
C17 | 0.044 (2) | 0.083 (3) | 0.092 (3) | 0.0061 (18) | −0.0045 (19) | 0.044 (2) |
C18 | 0.057 (2) | 0.077 (3) | 0.063 (2) | −0.0084 (19) | 0.0038 (18) | 0.034 (2) |
C19 | 0.060 (2) | 0.064 (2) | 0.080 (3) | −0.0122 (19) | 0.016 (2) | 0.011 (2) |
Geometric parameters (Å, º) top
Zn1—N1 | 2.045 (2) | C4—H4A | 0.9700 |
Zn1—N2 | 2.065 (2) | C4—H4B | 0.9700 |
Zn1—Cl1 | 2.2007 (9) | C5—C10 | 1.383 (4) |
Zn1—Cl2 | 2.2416 (9) | C5—C6 | 1.395 (4) |
N1—C1 | 1.484 (4) | C6—C7 | 1.364 (4) |
N1—C4 | 1.497 (3) | C6—H6 | 0.9300 |
N1—H1 | 0.9100 | C7—C8 | 1.369 (4) |
N2—C3 | 1.483 (4) | C8—C9 | 1.351 (5) |
N2—C12 | 1.487 (4) | C9—C10 | 1.392 (5) |
N2—H2 | 0.9100 | C9—H9 | 0.9300 |
O1—C7 | 1.376 (4) | C10—H10 | 0.9300 |
O1—C11 | 1.421 (5) | C11—H11A | 0.9700 |
O2—C8 | 1.373 (4) | C11—H11B | 0.9700 |
O2—C11 | 1.421 (5) | C12—C13 | 1.512 (4) |
O3—C15 | 1.377 (3) | C12—H12A | 0.9700 |
O3—C19 | 1.434 (4) | C12—H12B | 0.9700 |
O4—C16 | 1.377 (4) | C13—C18 | 1.372 (4) |
O4—C19 | 1.395 (4) | C13—C14 | 1.398 (4) |
C1—C2 | 1.514 (4) | C14—C15 | 1.363 (4) |
C1—H1A | 0.9700 | C14—H14 | 0.9300 |
C1—H1B | 0.9700 | C15—C16 | 1.364 (4) |
C2—C3 | 1.514 (4) | C16—C17 | 1.352 (5) |
C2—H2A | 0.9700 | C17—C18 | 1.398 (4) |
C2—H2B | 0.9700 | C17—H17 | 0.9300 |
C3—H3A | 0.9700 | C18—H18 | 0.9300 |
C3—H3B | 0.9700 | C19—H19A | 0.9700 |
C4—C5 | 1.510 (4) | C19—H19B | 0.9700 |
| | | |
N1—Zn1—N2 | 97.17 (9) | C7—C6—H6 | 121.6 |
N1—Zn1—Cl1 | 115.73 (7) | C5—C6—H6 | 121.6 |
N2—Zn1—Cl1 | 118.10 (7) | C6—C7—C8 | 122.6 (3) |
N1—Zn1—Cl2 | 108.80 (7) | C6—C7—O1 | 127.3 (3) |
N2—Zn1—Cl2 | 104.66 (7) | C8—C7—O1 | 110.1 (3) |
Cl1—Zn1—Cl2 | 111.05 (4) | C9—C8—C7 | 121.9 (3) |
C1—N1—C4 | 112.9 (2) | C9—C8—O2 | 128.0 (3) |
C1—N1—Zn1 | 108.61 (17) | C7—C8—O2 | 110.1 (3) |
C4—N1—Zn1 | 112.14 (17) | C8—C9—C10 | 116.8 (3) |
C1—N1—H1 | 107.7 | C8—C9—H9 | 121.6 |
C4—N1—H1 | 107.7 | C10—C9—H9 | 121.6 |
Zn1—N1—H1 | 107.7 | C5—C10—C9 | 122.0 (3) |
C3—N2—C12 | 113.9 (2) | C5—C10—H10 | 119.0 |
C3—N2—Zn1 | 108.44 (17) | C9—C10—H10 | 119.0 |
C12—N2—Zn1 | 109.72 (17) | O2—C11—O1 | 109.1 (3) |
C3—N2—H2 | 108.2 | O2—C11—H11A | 109.9 |
C12—N2—H2 | 108.2 | O1—C11—H11A | 109.9 |
Zn1—N2—H2 | 108.2 | O2—C11—H11B | 109.9 |
C7—O1—C11 | 104.6 (3) | O1—C11—H11B | 109.9 |
C8—O2—C11 | 104.7 (3) | H11A—C11—H11B | 108.3 |
C15—O3—C19 | 104.4 (2) | N2—C12—C13 | 116.7 (2) |
C16—O4—C19 | 105.3 (2) | N2—C12—H12A | 108.1 |
N1—C1—C2 | 111.9 (2) | C13—C12—H12A | 108.1 |
N1—C1—H1A | 109.2 | N2—C12—H12B | 108.1 |
C2—C1—H1A | 109.2 | C13—C12—H12B | 108.1 |
N1—C1—H1B | 109.2 | H12A—C12—H12B | 107.3 |
C2—C1—H1B | 109.2 | C18—C13—C14 | 119.6 (3) |
H1A—C1—H1B | 107.9 | C18—C13—C12 | 119.2 (3) |
C3—C2—C1 | 117.0 (3) | C14—C13—C12 | 121.2 (3) |
C3—C2—H2A | 108.0 | C15—C14—C13 | 117.2 (3) |
C1—C2—H2A | 108.0 | C15—C14—H14 | 121.4 |
C3—C2—H2B | 108.0 | C13—C14—H14 | 121.4 |
C1—C2—H2B | 108.0 | C14—C15—C16 | 122.5 (3) |
H2A—C2—H2B | 107.3 | C14—C15—O3 | 127.8 (3) |
N2—C3—C2 | 112.4 (2) | C16—C15—O3 | 109.7 (3) |
N2—C3—H3A | 109.1 | C17—C16—C15 | 121.8 (3) |
C2—C3—H3A | 109.1 | C17—C16—O4 | 128.3 (3) |
N2—C3—H3B | 109.1 | C15—C16—O4 | 109.9 (3) |
C2—C3—H3B | 109.1 | C16—C17—C18 | 116.5 (3) |
H3A—C3—H3B | 107.9 | C16—C17—H17 | 121.7 |
N1—C4—C5 | 113.6 (2) | C18—C17—H17 | 121.7 |
N1—C4—H4A | 108.9 | C13—C18—C17 | 122.3 (3) |
C5—C4—H4A | 108.9 | C13—C18—H18 | 118.8 |
N1—C4—H4B | 108.9 | C17—C18—H18 | 118.8 |
C5—C4—H4B | 108.9 | O4—C19—O3 | 108.5 (3) |
H4A—C4—H4B | 107.7 | O4—C19—H19A | 110.0 |
C10—C5—C6 | 119.9 (3) | O3—C19—H19A | 110.0 |
C10—C5—C4 | 121.3 (3) | O4—C19—H19B | 110.0 |
C6—C5—C4 | 118.8 (3) | O3—C19—H19B | 110.0 |
C7—C6—C5 | 116.9 (3) | H19A—C19—H19B | 108.4 |
| | | |
N2—Zn1—N1—C1 | −49.91 (19) | C11—O2—C8—C9 | −172.4 (4) |
Cl1—Zn1—N1—C1 | −175.90 (16) | C11—O2—C8—C7 | 8.0 (4) |
Cl2—Zn1—N1—C1 | 58.28 (19) | C7—C8—C9—C10 | 0.5 (5) |
N2—Zn1—N1—C4 | −175.33 (19) | O2—C8—C9—C10 | −179.1 (3) |
Cl1—Zn1—N1—C4 | 58.7 (2) | C6—C5—C10—C9 | −1.0 (5) |
Cl2—Zn1—N1—C4 | −67.1 (2) | C4—C5—C10—C9 | 178.7 (3) |
N1—Zn1—N2—C3 | 49.18 (19) | C8—C9—C10—C5 | 0.4 (5) |
Cl1—Zn1—N2—C3 | 173.45 (15) | C8—O2—C11—O1 | −11.5 (4) |
Cl2—Zn1—N2—C3 | −62.45 (18) | C7—O1—C11—O2 | 10.7 (4) |
N1—Zn1—N2—C12 | 174.18 (19) | C3—N2—C12—C13 | −45.8 (4) |
Cl1—Zn1—N2—C12 | −61.55 (19) | Zn1—N2—C12—C13 | −167.5 (2) |
Cl2—Zn1—N2—C12 | 62.55 (19) | N2—C12—C13—C18 | 109.5 (4) |
C4—N1—C1—C2 | −173.4 (2) | N2—C12—C13—C14 | −71.4 (4) |
Zn1—N1—C1—C2 | 61.6 (3) | C18—C13—C14—C15 | 1.0 (5) |
N1—C1—C2—C3 | −71.8 (3) | C12—C13—C14—C15 | −178.1 (3) |
C12—N2—C3—C2 | 177.3 (2) | C13—C14—C15—C16 | −1.1 (5) |
Zn1—N2—C3—C2 | −60.2 (3) | C13—C14—C15—O3 | 179.5 (3) |
C1—C2—C3—N2 | 71.3 (4) | C19—O3—C15—C14 | −172.3 (3) |
C1—N1—C4—C5 | 63.8 (3) | C19—O3—C15—C16 | 8.2 (3) |
Zn1—N1—C4—C5 | −173.2 (2) | C14—C15—C16—C17 | 0.5 (5) |
N1—C4—C5—C10 | −103.2 (3) | O3—C15—C16—C17 | 180.0 (3) |
N1—C4—C5—C6 | 76.5 (3) | C14—C15—C16—O4 | −178.8 (3) |
C10—C5—C6—C7 | 0.7 (4) | O3—C15—C16—O4 | 0.7 (4) |
C4—C5—C6—C7 | −179.0 (3) | C19—O4—C16—C17 | 171.2 (4) |
C5—C6—C7—C8 | 0.2 (5) | C19—O4—C16—C15 | −9.6 (4) |
C5—C6—C7—O1 | −179.5 (3) | C15—C16—C17—C18 | 0.3 (6) |
C11—O1—C7—C6 | 173.9 (3) | O4—C16—C17—C18 | 179.4 (4) |
C11—O1—C7—C8 | −5.7 (4) | C14—C13—C18—C17 | −0.2 (6) |
C6—C7—C8—C9 | −0.8 (5) | C12—C13—C18—C17 | 178.9 (4) |
O1—C7—C8—C9 | 178.9 (3) | C16—C17—C18—C13 | −0.4 (6) |
C6—C7—C8—O2 | 178.9 (3) | C16—O4—C19—O3 | 14.7 (4) |
O1—C7—C8—O2 | −1.4 (4) | C15—O3—C19—O4 | −14.3 (4) |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
N1—H1···Cl1i | 0.91 | 2.63 | 3.526 (3) | 167 |
N2—H2···Cl2i | 0.91 | 2.51 | 3.386 (3) | 163 |
C11—H11A···O1ii | 0.97 | 2.72 | 3.404 (5) | 128 |
C19—H19A···Cl1iii | 0.97 | 2.76 | 3.461 (4) | 130 |
Symmetry codes: (i) x, −y+1/2, z+1/2; (ii) −x+2, −y+1, −z+2; (iii) −x+1, −y, −z+1. |