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Hydrogen-bond interactions in the title compound, C20H29N2O8P, generate infinite ribbons consisting of alternating centrosymmetric R22(8) and R22(16) rings. Within the ribbons, the P=O bonds are antiparallel, making the crystal structure non-polar.
Supporting information
CCDC reference: 624165
Key indicators
- Single-crystal X-ray study
- T = 100 K
- Mean (C-C)= 0.002 Å
- R factor = 0.038
- wR factor = 0.089
- Data-to-parameter ratio = 14.8
checkCIF/PLATON results
No syntax errors found
No errors found in this datablock
Data collection: APEX2 (Bruker, 2005); cell refinement: SAINT (Bruker, 2005); data reduction: SAINT and SADABS (Bruker, 2005); program(s) used to solve structure: SIR92 (Burla et al., 1989); program(s) used to refine structure: LS in TEXSAN (Molecular Structure Corporation, 1997) and
SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 2003) and SHELXTL (Bruker, 2005); software used to prepare material for publication: SHELXL97 and PLATON.
Ethyl
N,
N'-bis(3,4,5-trimethoxyphenyl)phosphorodiamidate
top
Crystal data top
C20H29N2O8P | Z = 2 |
Mr = 456.42 | F(000) = 484 |
Triclinic, P1 | Dx = 1.419 Mg m−3 |
Hall symbol: -P 1 | Melting point = 434–436 K |
a = 10.0994 (5) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 10.1542 (5) Å | Cell parameters from 6224 reflections |
c = 11.9800 (9) Å | θ = 2.4–26.2° |
α = 93.596 (3)° | µ = 0.18 mm−1 |
β = 98.968 (3)° | T = 100 K |
γ = 117.066 (2)° | Irregular fragment, colorless |
V = 1068.10 (11) Å3 | 0.26 × 0.20 × 0.20 mm |
Data collection top
Bruker Kappa APEXII CCD area-detector diffractometer | 4358 independent reflections |
Radiation source: X-ray tube | 3628 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.039 |
φ and ω scans | θmax = 26.4°, θmin = 1.7° |
Absorption correction: multi-scan (SADABS; Bruker, 2005) | h = −12→12 |
Tmin = 0.862, Tmax = 0.965 | k = −12→12 |
31960 measured reflections | l = −14→14 |
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)] = 0.038 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.089 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.03 | w = 1/[σ2(Fo2) + (0.0355P)2 + 0.7048P] where P = (Fo2 + 2Fc2)/3 |
4358 reflections | (Δ/σ)max = 0.001 |
295 parameters | Δρmax = 0.38 e Å−3 |
0 restraints | Δρmin = −0.44 e Å−3 |
Special details top
Experimental. RF = 0.58 (CH2Cl2/CH3OH = 95/10). 1H NMR (300 MHz, CDCl3, δ,
p.p.m.): 7.86 (d, J = 9.0 Hz, 2H), 6.41 (s, 4H), 4.06 (p, J = 6.9 Hz, 2H),
3.69 (s, 12H), 3.56 (s, 6H), 1.29 (t, J = 6.9 Hz, 3H). 13C NMR (75 MHz,
CDCl3, δ, p.p.m.): 153.7, 138.3, 132.3, 96.0, 61.6, 60.8, 56.4, 16.9. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
P1 | 0.07938 (5) | 0.16365 (4) | 0.65742 (4) | 0.01396 (12) | |
O1 | 0.28320 (13) | 0.76472 (12) | 0.58531 (10) | 0.0194 (3) | |
O2 | 0.44494 (13) | 0.78872 (12) | 0.42249 (10) | 0.0186 (3) | |
O3 | 0.44492 (13) | 0.54698 (12) | 0.31786 (10) | 0.0175 (3) | |
O4 | 0.12345 (13) | −0.09481 (13) | 1.02950 (10) | 0.0225 (3) | |
O5 | 0.39598 (13) | 0.08991 (13) | 1.16382 (9) | 0.0184 (3) | |
O6 | 0.60601 (13) | 0.31568 (13) | 1.08376 (10) | 0.0197 (3) | |
O7 | 0.03594 (12) | 0.26332 (12) | 0.73463 (9) | 0.0160 (3) | |
O8 | −0.03119 (13) | 0.00310 (12) | 0.64092 (10) | 0.0176 (3) | |
N1 | 0.09461 (15) | 0.22411 (15) | 0.53471 (12) | 0.0149 (3) | |
N2 | 0.25175 (16) | 0.20541 (15) | 0.72458 (12) | 0.0166 (3) | |
C1 | 0.18692 (17) | 0.37029 (17) | 0.51126 (13) | 0.0132 (3) | |
C2 | 0.18984 (18) | 0.49540 (17) | 0.56800 (14) | 0.0152 (3) | |
H2A | 0.1332 | 0.4857 | 0.6261 | 0.018* | |
C3 | 0.27686 (18) | 0.63521 (17) | 0.53859 (14) | 0.0149 (3) | |
C4 | 0.36392 (18) | 0.65141 (17) | 0.45542 (14) | 0.0152 (3) | |
C5 | 0.35817 (17) | 0.52395 (17) | 0.39916 (14) | 0.0140 (3) | |
C6 | 0.26837 (17) | 0.38304 (17) | 0.42577 (14) | 0.0138 (3) | |
H6 | 0.2629 | 0.2964 | 0.3857 | 0.017* | |
C7 | 0.1920 (2) | 0.75411 (19) | 0.66762 (15) | 0.0203 (4) | |
H7A | 0.0857 | 0.6825 | 0.6343 | 0.030* | |
H7B | 0.2003 | 0.8525 | 0.6899 | 0.030* | |
H7C | 0.2274 | 0.7200 | 0.7352 | 0.030* | |
C8 | 0.58594 (19) | 0.88588 (18) | 0.50146 (15) | 0.0203 (4) | |
H8A | 0.5671 | 0.8905 | 0.5791 | 0.030* | |
H8B | 0.6284 | 0.9865 | 0.4802 | 0.030* | |
H8C | 0.6581 | 0.8467 | 0.4988 | 0.030* | |
C9 | 0.4421 (2) | 0.41705 (18) | 0.26117 (15) | 0.0203 (4) | |
H9A | 0.4734 | 0.3659 | 0.3180 | 0.031* | |
H9B | 0.5122 | 0.4471 | 0.2084 | 0.031* | |
H9C | 0.3389 | 0.3492 | 0.2183 | 0.031* | |
C10 | 0.28850 (18) | 0.17349 (17) | 0.83475 (14) | 0.0149 (3) | |
C11 | 0.43198 (18) | 0.26501 (17) | 0.90260 (14) | 0.0157 (3) | |
H11 | 0.5047 | 0.3475 | 0.8749 | 0.019* | |
C12 | 0.46766 (18) | 0.23443 (17) | 1.01131 (14) | 0.0157 (3) | |
C13 | 0.36178 (19) | 0.11490 (18) | 1.05361 (14) | 0.0159 (3) | |
C14 | 0.21974 (19) | 0.02222 (18) | 0.98284 (14) | 0.0170 (4) | |
C15 | 0.18226 (18) | 0.05054 (18) | 0.87404 (14) | 0.0166 (4) | |
H15 | 0.0853 | −0.0130 | 0.8267 | 0.020* | |
C16 | 0.71306 (19) | 0.4481 (2) | 1.04916 (16) | 0.0241 (4) | |
H16A | 0.7431 | 0.4211 | 0.9809 | 0.036* | |
H16B | 0.8030 | 0.5015 | 1.1111 | 0.036* | |
H16C | 0.6667 | 0.5127 | 1.0317 | 0.036* | |
C17 | 0.45407 (19) | −0.01527 (19) | 1.16731 (15) | 0.0202 (4) | |
H17A | 0.3790 | −0.1100 | 1.1194 | 0.030* | |
H17B | 0.4743 | −0.0325 | 1.2463 | 0.030* | |
H17C | 0.5486 | 0.0247 | 1.1387 | 0.030* | |
C18 | −0.0143 (2) | −0.20325 (19) | 0.95506 (16) | 0.0250 (4) | |
H18A | −0.0718 | −0.1539 | 0.9225 | 0.038* | |
H18B | −0.0752 | −0.2792 | 0.9983 | 0.038* | |
H18C | 0.0098 | −0.2511 | 0.8933 | 0.038* | |
C19 | −0.12383 (18) | 0.23059 (19) | 0.71416 (15) | 0.0192 (4) | |
H19A | −0.1868 | 0.1336 | 0.7383 | 0.023* | |
H19B | −0.1623 | 0.2249 | 0.6318 | 0.023* | |
C20 | −0.1313 (2) | 0.3555 (2) | 0.78301 (16) | 0.0238 (4) | |
H20A | −0.0925 | 0.3602 | 0.8642 | 0.036* | |
H20B | −0.2369 | 0.3367 | 0.7716 | 0.036* | |
H20C | −0.0692 | 0.4506 | 0.7580 | 0.036* | |
H1 | 0.074 (2) | 0.155 (2) | 0.4806 (18) | 0.029 (6)* | |
H2 | 0.321 (2) | 0.259 (2) | 0.6962 (18) | 0.029 (6)* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
P1 | 0.0155 (2) | 0.0124 (2) | 0.0130 (2) | 0.00527 (17) | 0.00392 (16) | 0.00347 (16) |
O1 | 0.0277 (6) | 0.0122 (5) | 0.0210 (6) | 0.0100 (5) | 0.0102 (5) | 0.0021 (5) |
O2 | 0.0216 (6) | 0.0112 (5) | 0.0193 (6) | 0.0045 (5) | 0.0038 (5) | 0.0051 (5) |
O3 | 0.0214 (6) | 0.0137 (6) | 0.0188 (6) | 0.0074 (5) | 0.0101 (5) | 0.0042 (5) |
O4 | 0.0191 (6) | 0.0217 (6) | 0.0202 (7) | 0.0030 (5) | 0.0044 (5) | 0.0107 (5) |
O5 | 0.0240 (6) | 0.0217 (6) | 0.0127 (6) | 0.0133 (5) | 0.0037 (5) | 0.0042 (5) |
O6 | 0.0162 (6) | 0.0198 (6) | 0.0176 (6) | 0.0049 (5) | 0.0002 (5) | 0.0021 (5) |
O7 | 0.0142 (5) | 0.0164 (6) | 0.0161 (6) | 0.0063 (5) | 0.0029 (5) | 0.0015 (5) |
O8 | 0.0188 (6) | 0.0140 (6) | 0.0161 (6) | 0.0040 (5) | 0.0044 (5) | 0.0036 (5) |
N1 | 0.0185 (7) | 0.0109 (7) | 0.0128 (7) | 0.0047 (6) | 0.0035 (6) | 0.0019 (6) |
N2 | 0.0157 (7) | 0.0168 (7) | 0.0156 (8) | 0.0052 (6) | 0.0051 (6) | 0.0071 (6) |
C1 | 0.0134 (7) | 0.0125 (7) | 0.0118 (8) | 0.0050 (6) | −0.0002 (6) | 0.0040 (6) |
C2 | 0.0168 (8) | 0.0154 (8) | 0.0134 (8) | 0.0073 (7) | 0.0040 (6) | 0.0030 (6) |
C3 | 0.0185 (8) | 0.0125 (7) | 0.0136 (8) | 0.0080 (7) | 0.0007 (6) | 0.0013 (6) |
C4 | 0.0169 (8) | 0.0108 (7) | 0.0163 (9) | 0.0055 (6) | 0.0010 (7) | 0.0051 (6) |
C5 | 0.0145 (8) | 0.0165 (8) | 0.0117 (8) | 0.0075 (7) | 0.0029 (6) | 0.0053 (6) |
C6 | 0.0165 (8) | 0.0118 (7) | 0.0134 (8) | 0.0077 (6) | 0.0011 (6) | 0.0016 (6) |
C7 | 0.0246 (9) | 0.0201 (8) | 0.0184 (9) | 0.0117 (7) | 0.0070 (7) | 0.0011 (7) |
C8 | 0.0183 (8) | 0.0140 (8) | 0.0254 (10) | 0.0050 (7) | 0.0043 (7) | 0.0034 (7) |
C9 | 0.0250 (9) | 0.0185 (8) | 0.0209 (9) | 0.0111 (7) | 0.0108 (7) | 0.0035 (7) |
C10 | 0.0178 (8) | 0.0152 (8) | 0.0146 (9) | 0.0098 (7) | 0.0043 (7) | 0.0034 (6) |
C11 | 0.0159 (8) | 0.0121 (7) | 0.0188 (9) | 0.0057 (6) | 0.0049 (7) | 0.0029 (6) |
C12 | 0.0164 (8) | 0.0149 (8) | 0.0157 (9) | 0.0081 (7) | 0.0023 (7) | −0.0010 (6) |
C13 | 0.0198 (8) | 0.0193 (8) | 0.0123 (8) | 0.0121 (7) | 0.0041 (7) | 0.0030 (6) |
C14 | 0.0181 (8) | 0.0157 (8) | 0.0191 (9) | 0.0078 (7) | 0.0086 (7) | 0.0063 (7) |
C15 | 0.0142 (8) | 0.0164 (8) | 0.0172 (9) | 0.0056 (7) | 0.0025 (7) | 0.0034 (7) |
C16 | 0.0170 (8) | 0.0220 (9) | 0.0234 (10) | 0.0018 (7) | 0.0021 (7) | 0.0014 (7) |
C17 | 0.0213 (9) | 0.0220 (9) | 0.0201 (9) | 0.0122 (7) | 0.0048 (7) | 0.0060 (7) |
C18 | 0.0206 (9) | 0.0184 (9) | 0.0275 (10) | 0.0014 (7) | 0.0053 (8) | 0.0077 (7) |
C19 | 0.0146 (8) | 0.0217 (9) | 0.0200 (9) | 0.0078 (7) | 0.0030 (7) | 0.0032 (7) |
C20 | 0.0230 (9) | 0.0278 (9) | 0.0226 (10) | 0.0133 (8) | 0.0058 (7) | 0.0050 (8) |
Geometric parameters (Å, º) top
P1—O8 | 1.4757 (11) | C7—H7C | 0.98 |
P1—O7 | 1.5765 (12) | C8—H8A | 0.98 |
P1—N1 | 1.6308 (14) | C8—H8B | 0.98 |
P1—N2 | 1.6451 (15) | C8—H8C | 0.98 |
O1—C3 | 1.3662 (19) | C9—H9A | 0.98 |
O1—C7 | 1.428 (2) | C9—H9B | 0.98 |
O2—C4 | 1.3786 (18) | C9—H9C | 0.98 |
O2—C8 | 1.442 (2) | C10—C11 | 1.392 (2) |
O3—C5 | 1.3708 (19) | C10—C15 | 1.394 (2) |
O3—C9 | 1.4320 (19) | C11—C12 | 1.389 (2) |
O4—C14 | 1.3680 (19) | C11—H11 | 0.95 |
O4—C18 | 1.428 (2) | C12—C13 | 1.392 (2) |
O5—C13 | 1.381 (2) | C13—C14 | 1.398 (2) |
O5—C17 | 1.433 (2) | C14—C15 | 1.385 (2) |
O6—C12 | 1.3672 (19) | C15—H15 | 0.95 |
O6—C16 | 1.427 (2) | C16—H16A | 0.98 |
O7—C19 | 1.4673 (19) | C16—H16B | 0.98 |
N1—C1 | 1.4233 (19) | C16—H16C | 0.98 |
N1—H1 | 0.85 (2) | C17—H17A | 0.98 |
N2—C10 | 1.413 (2) | C17—H17B | 0.98 |
N2—H2 | 0.80 (2) | C17—H17C | 0.98 |
C1—C6 | 1.387 (2) | C18—H18A | 0.98 |
C1—C2 | 1.389 (2) | C18—H18B | 0.98 |
C2—C3 | 1.391 (2) | C18—H18C | 0.98 |
C2—H2A | 0.95 | C19—C20 | 1.506 (2) |
C3—C4 | 1.398 (2) | C19—H19A | 0.99 |
C4—C5 | 1.394 (2) | C19—H19B | 0.99 |
C5—C6 | 1.392 (2) | C20—H20A | 0.98 |
C6—H6 | 0.95 | C20—H20B | 0.98 |
C7—H7A | 0.98 | C20—H20C | 0.98 |
C7—H7B | 0.98 | | |
| | | |
O8—P1—O7 | 112.74 (6) | O3—C9—H9C | 109.5 |
O8—P1—N1 | 110.68 (7) | H9A—C9—H9C | 109.5 |
O7—P1—N1 | 108.58 (7) | H9B—C9—H9C | 109.5 |
O8—P1—N2 | 114.49 (7) | C11—C10—C15 | 120.67 (15) |
O7—P1—N2 | 102.90 (7) | C11—C10—N2 | 119.25 (14) |
N1—P1—N2 | 106.96 (7) | C15—C10—N2 | 120.07 (14) |
C3—O1—C7 | 117.43 (13) | C12—C11—C10 | 119.26 (15) |
C4—O2—C8 | 113.89 (12) | C12—C11—H11 | 120.4 |
C5—O3—C9 | 116.47 (12) | C10—C11—H11 | 120.4 |
C14—O4—C18 | 116.83 (13) | O6—C12—C11 | 123.83 (14) |
C13—O5—C17 | 111.66 (12) | O6—C12—C13 | 115.13 (15) |
C12—O6—C16 | 117.20 (13) | C11—C12—C13 | 121.04 (15) |
C19—O7—P1 | 117.61 (10) | O5—C13—C12 | 120.52 (14) |
C1—N1—P1 | 129.34 (12) | O5—C13—C14 | 120.80 (14) |
C1—N1—H1 | 113.3 (14) | C12—C13—C14 | 118.67 (15) |
P1—N1—H1 | 112.5 (14) | O4—C14—C15 | 123.72 (15) |
C10—N2—P1 | 124.98 (12) | O4—C14—C13 | 115.18 (15) |
C10—N2—H2 | 117.8 (15) | C15—C14—C13 | 121.10 (15) |
P1—N2—H2 | 116.5 (15) | C14—C15—C10 | 119.21 (15) |
C6—C1—C2 | 120.96 (14) | C14—C15—H15 | 120.4 |
C6—C1—N1 | 117.74 (14) | C10—C15—H15 | 120.4 |
C2—C1—N1 | 121.24 (14) | O6—C16—H16A | 109.5 |
C1—C2—C3 | 119.08 (15) | O6—C16—H16B | 109.5 |
C1—C2—H2A | 120.5 | H16A—C16—H16B | 109.5 |
C3—C2—H2A | 120.5 | O6—C16—H16C | 109.5 |
O1—C3—C2 | 124.06 (15) | H16A—C16—H16C | 109.5 |
O1—C3—C4 | 114.97 (14) | H16B—C16—H16C | 109.5 |
C2—C3—C4 | 120.96 (14) | O5—C17—H17A | 109.5 |
O2—C4—C5 | 119.91 (14) | O5—C17—H17B | 109.5 |
O2—C4—C3 | 121.09 (14) | H17A—C17—H17B | 109.5 |
C5—C4—C3 | 118.81 (14) | O5—C17—H17C | 109.5 |
O3—C5—C6 | 123.25 (14) | H17A—C17—H17C | 109.5 |
O3—C5—C4 | 116.05 (14) | H17B—C17—H17C | 109.5 |
C6—C5—C4 | 120.70 (15) | O4—C18—H18A | 109.5 |
C1—C6—C5 | 119.44 (15) | O4—C18—H18B | 109.5 |
C1—C6—H6 | 120.3 | H18A—C18—H18B | 109.5 |
C5—C6—H6 | 120.3 | O4—C18—H18C | 109.5 |
O1—C7—H7A | 109.5 | H18A—C18—H18C | 109.5 |
O1—C7—H7B | 109.5 | H18B—C18—H18C | 109.5 |
H7A—C7—H7B | 109.5 | O7—C19—C20 | 107.33 (13) |
O1—C7—H7C | 109.5 | O7—C19—H19A | 110.2 |
H7A—C7—H7C | 109.5 | C20—C19—H19A | 110.2 |
H7B—C7—H7C | 109.5 | O7—C19—H19B | 110.2 |
O2—C8—H8A | 109.5 | C20—C19—H19B | 110.2 |
O2—C8—H8B | 109.5 | H19A—C19—H19B | 108.5 |
H8A—C8—H8B | 109.5 | C19—C20—H20A | 109.5 |
O2—C8—H8C | 109.5 | C19—C20—H20B | 109.5 |
H8A—C8—H8C | 109.5 | H20A—C20—H20B | 109.5 |
H8B—C8—H8C | 109.5 | C19—C20—H20C | 109.5 |
O3—C9—H9A | 109.5 | H20A—C20—H20C | 109.5 |
O3—C9—H9B | 109.5 | H20B—C20—H20C | 109.5 |
H9A—C9—H9B | 109.5 | | |
| | | |
O8—P1—O7—C19 | −43.07 (13) | C2—C1—C6—C5 | 2.1 (2) |
N1—P1—O7—C19 | 79.95 (12) | N1—C1—C6—C5 | 179.05 (14) |
N2—P1—O7—C19 | −166.92 (11) | O3—C5—C6—C1 | 178.45 (14) |
O8—P1—N1—C1 | 179.76 (13) | C4—C5—C6—C1 | −1.6 (2) |
O7—P1—N1—C1 | 55.50 (16) | P1—N2—C10—C11 | −151.83 (13) |
N2—P1—N1—C1 | −54.91 (16) | P1—N2—C10—C15 | 28.9 (2) |
O8—P1—N2—C10 | −57.67 (15) | C15—C10—C11—C12 | −1.3 (2) |
O7—P1—N2—C10 | 65.02 (14) | N2—C10—C11—C12 | 179.44 (15) |
N1—P1—N2—C10 | 179.32 (13) | C16—O6—C12—C11 | 6.7 (2) |
P1—N1—C1—C6 | 133.69 (14) | C16—O6—C12—C13 | −173.79 (15) |
P1—N1—C1—C2 | −49.4 (2) | C10—C11—C12—O6 | 178.77 (15) |
C6—C1—C2—C3 | −0.4 (2) | C10—C11—C12—C13 | −0.7 (2) |
N1—C1—C2—C3 | −177.26 (14) | C17—O5—C13—C12 | −94.24 (18) |
C7—O1—C3—C2 | −1.3 (2) | C17—O5—C13—C14 | 86.64 (18) |
C7—O1—C3—C4 | 177.68 (14) | O6—C12—C13—O5 | 3.7 (2) |
C1—C2—C3—O1 | 177.20 (15) | C11—C12—C13—O5 | −176.85 (14) |
C1—C2—C3—C4 | −1.8 (2) | O6—C12—C13—C14 | −177.20 (14) |
C8—O2—C4—C5 | −106.40 (17) | C11—C12—C13—C14 | 2.3 (2) |
C8—O2—C4—C3 | 78.76 (19) | C18—O4—C14—C15 | 8.7 (2) |
O1—C3—C4—O2 | −1.9 (2) | C18—O4—C14—C13 | −171.80 (15) |
C2—C3—C4—O2 | 177.11 (14) | O5—C13—C14—O4 | −2.4 (2) |
O1—C3—C4—C5 | −176.84 (14) | C12—C13—C14—O4 | 178.44 (14) |
C2—C3—C4—C5 | 2.2 (2) | O5—C13—C14—C15 | 177.11 (15) |
C9—O3—C5—C6 | −1.3 (2) | C12—C13—C14—C15 | −2.0 (3) |
C9—O3—C5—C4 | 178.81 (14) | O4—C14—C15—C10 | 179.64 (15) |
O2—C4—C5—O3 | 4.5 (2) | C13—C14—C15—C10 | 0.2 (3) |
C3—C4—C5—O3 | 179.42 (14) | C11—C10—C15—C14 | 1.5 (2) |
O2—C4—C5—C6 | −175.45 (14) | N2—C10—C15—C14 | −179.19 (15) |
C3—C4—C5—C6 | −0.5 (2) | P1—O7—C19—C20 | −170.39 (11) |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
N1—H1···O8i | 0.85 (2) | 1.94 (2) | 2.7904 (18) | 179 (3) |
N2—H2···O3ii | 0.81 (2) | 2.33 (2) | 3.099 (2) | 160 (2) |
C8—H8B···O1iii | 0.98 | 2.49 | 3.470 (2) | 175 |
C9—H9B···O6iv | 0.98 | 2.50 | 3.270 (2) | 135 |
C16—H16B···O7v | 0.98 | 2.60 | 3.459 (2) | 147 |
Symmetry codes: (i) −x, −y, −z+1; (ii) −x+1, −y+1, −z+1; (iii) −x+1, −y+2, −z+1; (iv) x, y, z−1; (v) −x+1, −y+1, −z+2. |
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