Download citation
Download citation
link to html
In the title compound, (C4H12N2)[Ti(C7H4O3)3]·H2O·C3H7NO, the TiIV atom is chelated by three salicylate ligands in an octa­hedral geometry, the complex anion being the fac isomer. The cations, complex anions and solvent mol­ecules are linked by hydrogen bonds into a layer structure.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805024761/ob6557sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805024761/ob6557Isup2.hkl
Contains datablock I

CCDC reference: 283971

Key indicators

  • Single-crystal X-ray study
  • T = 295 K
  • Mean [sigma](C-C) = 0.007 Å
  • R factor = 0.076
  • wR factor = 0.234
  • Data-to-parameter ratio = 16.2

checkCIF/PLATON results

No syntax errors found



Alert level A ABSTM02_ALERT_3_A The ratio of expected to reported Tmax/Tmin(RR') is < 0.50 Tmin and Tmax reported: 0.383 0.972 Tmin(prime) and Tmax expected: 0.926 0.972 RR(prime) = 0.414 Please check that your absorption correction is appropriate.
Author Response: The range is given by SADABS.
PLAT061_ALERT_3_A Tmax/Tmin Range Test RR' too Large .............       0.41
Author Response: The range is given by SADABS.

Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.97 PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT230_ALERT_2_C Hirshfeld Test Diff for O6 - C21 .. 5.58 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C17 - C18 .. 5.34 su PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for N3 PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 7 PLAT369_ALERT_2_C Long C(sp2)-C(sp2) Bond C20 - C21 ... 1.54 Ang. PLAT432_ALERT_2_C Short Inter X...Y Contact O10 .. C22 .. 2.99 Ang. PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 2 PLAT726_ALERT_1_C H...A Calc 2.03000, Rep 2.05000 Dev... 0.02 Ang. H1# -O9 1.555 1.555 PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 4 H2 O
2 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 11 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.

Piperazinium(2+) fac-tris(salicylato-κ2O,O')titanate(IV) monohydrate dimethylformamide solvate top
Crystal data top
(C4H12N2)[Ti(C7H4O3)3]·H2O·C3H7NOZ = 2
Mr = 635.47F(000) = 664
Triclinic, P1Dx = 1.455 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 9.021 (1) ÅCell parameters from 1049 reflections
b = 11.072 (1) Åθ = 2.3–20.1°
c = 15.067 (2) ŵ = 0.36 mm1
α = 75.545 (2)°T = 295 K
β = 84.830 (2)°Rod, yellow
γ = 87.146 (3)°0.21 × 0.13 × 0.08 mm
V = 1450.8 (3) Å3
Data collection top
Bruker APEX area-detector
diffractometer
5700 independent reflections
Radiation source: fine-focus sealed tube3379 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.033
φ and ω scansθmax = 26.3°, θmin = 1.4°
Absorption correction: multi-scan
SADABS (Sheldrick, 1996)
h = 911
Tmin = 0.383, Tmax = 0.972k = 1311
8209 measured reflectionsl = 1818
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)] = 0.076Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.234H-atom parameters constrained
S = 1.01 w = 1/[σ2(Fo2) + (0.1201P)2]
where P = (Fo2 + 2Fc2)/3
5700 reflections(Δ/σ)max = 0.001
351 parametersΔρmax = 0.40 e Å3
0 restraintsΔρmin = 0.34 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Ti10.68425 (10)0.70907 (8)0.76743 (5)0.0373 (3)
O10.8372 (4)0.5901 (3)0.7973 (2)0.043 (1)
O20.6641 (4)0.6313 (3)0.6624 (2)0.043 (1)
O30.7000 (4)0.5208 (3)0.5595 (2)0.052 (1)
O40.5342 (3)0.6200 (3)0.8461 (2)0.042 (1)
O50.5203 (4)0.8248 (3)0.7118 (2)0.052 (1)
O60.3011 (4)0.9165 (3)0.6881 (2)0.059 (1)
O70.7228 (4)0.8041 (3)0.8496 (2)0.047 (1)
O80.8203 (4)0.8280 (3)0.6757 (2)0.046 (1)
O90.9521 (4)0.9901 (3)0.6038 (2)0.051 (1)
O100.5505 (7)0.2756 (5)0.6833 (3)0.110 (2)
O1w1.1510 (5)1.1854 (4)0.5174 (3)0.080 (1)
N10.4565 (5)0.6807 (4)0.5027 (3)0.043 (1)
N20.2382 (5)0.8687 (4)0.5268 (3)0.048 (1)
N30.5014 (6)0.2220 (4)0.8347 (3)0.057 (1)
C10.9257 (3)0.5253 (3)0.7478 (2)0.037 (1)
C21.0602 (3)0.4776 (3)0.7823 (2)0.045 (1)
C31.1540 (3)0.4060 (3)0.7361 (2)0.054 (1)
C41.1133 (3)0.3820 (3)0.6555 (2)0.053 (1)
C50.9788 (4)0.4297 (3)0.6210 (2)0.045 (1)
C60.8851 (3)0.5013 (3)0.6672 (2)0.036 (1)
C70.7427 (6)0.5520 (4)0.6271 (3)0.040 (1)
C80.7951 (4)0.9103 (3)0.8413 (2)0.041 (1)
C90.7931 (4)0.9542 (3)0.9202 (2)0.059 (3)
C100.8613 (5)1.0652 (4)0.9169 (2)0.078 (2)
C110.9316 (5)1.1324 (3)0.8348 (3)0.076 (2)
C120.9336 (4)1.0885 (3)0.7559 (2)0.059 (2)
C130.8653 (4)0.9775 (3)0.7592 (2)0.036 (1)
C140.8822 (5)0.9296 (4)0.6756 (3)0.036 (1)
C150.3928 (2)0.6491 (2)0.8723 (2)0.035 (1)
C160.3235 (3)0.5711 (2)0.9503 (2)0.043 (1)
C170.1786 (3)0.5984 (3)0.9807 (2)0.057 (2)
C180.1030 (3)0.7038 (3)0.9331 (2)0.058 (2)
C190.1722 (3)0.7818 (3)0.8551 (2)0.058 (2)
C200.3171 (3)0.7544 (2)0.8247 (2)0.038 (1)
C210.3818 (4)0.8408 (3)0.7344 (2)0.045 (1)
C220.4950 (6)0.8129 (5)0.4840 (4)0.049 (1)
C230.3621 (6)0.8941 (5)0.4549 (3)0.050 (1)
C240.1994 (6)0.7356 (5)0.5508 (4)0.057 (2)
C250.3340 (6)0.6516 (5)0.5759 (3)0.052 (1)
C260.5546 (8)0.2947 (6)0.7591 (4)0.078 (2)
C270.4252 (9)0.1120 (6)0.8325 (5)0.089 (2)
C280.5131 (10)0.2510 (7)0.9218 (4)0.100 (3)
H1w11.07611.13960.53790.096*
H1w21.19521.16230.47150.096*
H1a0.53690.63200.52000.051*
H1b0.42880.66440.45100.051*
H2a0.15810.91600.50690.057*
H2b0.26390.88940.57730.057*
H21.08740.49370.83620.054*
H31.24390.37410.75910.065*
H41.17610.33410.62460.064*
H50.95160.41360.56710.054*
H90.74610.90920.97520.071*
H100.86001.09450.96970.093*
H110.97721.20660.83260.091*
H120.98051.13340.70100.071*
H160.37420.50060.98210.052*
H170.13230.54621.03290.068*
H180.00600.72210.95350.070*
H190.12160.85230.82330.069*
H22a0.57550.83070.43580.058*
H22b0.52840.83000.53890.058*
H23a0.38810.98110.44250.060*
H23b0.33140.87920.39860.060*
H24a0.15780.71620.49900.068*
H24b0.12420.72010.60230.068*
H25a0.36700.66220.63290.062*
H25b0.30720.56530.58550.062*
H260.59940.36710.76270.094*
H27a0.32680.13500.81340.133*
H27b0.41860.05630.89270.133*
H27c0.47930.07120.78980.133*
H28a0.57530.32160.91300.150*
H28b0.55600.18050.96340.150*
H28c0.41580.27030.94700.150*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ti10.0443 (6)0.0359 (5)0.0300 (5)0.0038 (4)0.0002 (4)0.0056 (4)
O10.044 (2)0.053 (2)0.035 (2)0.005 (2)0.009 (2)0.013 (2)
O20.053 (2)0.040 (2)0.039 (2)0.001 (2)0.011 (2)0.011 (2)
O30.070 (3)0.050 (2)0.043 (2)0.005 (2)0.018 (2)0.018 (2)
O40.038 (2)0.041 (2)0.041 (2)0.001 (2)0.001 (2)0.001 (2)
O50.065 (3)0.038 (2)0.042 (2)0.010 (2)0.002 (2)0.003 (2)
O60.082 (3)0.055 (2)0.040 (2)0.028 (2)0.028 (2)0.005 (2)
O70.059 (2)0.050 (2)0.033 (2)0.015 (2)0.013 (2)0.015 (2)
O80.062 (2)0.047 (2)0.029 (2)0.016 (2)0.007 (2)0.011 (2)
O90.050 (2)0.064 (2)0.035 (2)0.020 (2)0.008 (2)0.007 (2)
O100.164 (6)0.130 (4)0.034 (2)0.048 (4)0.002 (3)0.011 (3)
O1w0.088 (3)0.096 (3)0.061 (3)0.042 (3)0.011 (2)0.030 (2)
N10.049 (3)0.045 (2)0.037 (2)0.0035 (19)0.014 (2)0.011 (2)
N20.043 (3)0.055 (3)0.047 (3)0.006 (2)0.013 (2)0.013 (2)
N30.075 (3)0.056 (3)0.041 (3)0.012 (3)0.001 (2)0.013 (2)
C10.041 (3)0.036 (3)0.034 (3)0.004 (2)0.003 (2)0.008 (2)
C20.040 (3)0.051 (3)0.043 (3)0.004 (2)0.003 (2)0.009 (2)
C30.041 (3)0.055 (4)0.060 (4)0.004 (3)0.001 (3)0.005 (3)
C40.062 (4)0.043 (3)0.053 (3)0.003 (3)0.014 (3)0.015 (3)
C50.057 (3)0.041 (3)0.036 (3)0.013 (2)0.004 (2)0.009 (2)
C60.046 (3)0.032 (3)0.029 (2)0.012 (2)0.001 (2)0.003 (2)
C70.058 (3)0.030 (3)0.032 (3)0.016 (2)0.001 (2)0.004 (2)
C80.042 (3)0.045 (3)0.041 (3)0.001 (2)0.004 (2)0.021 (2)
C90.073 (4)0.066 (4)0.041 (3)0.010 (3)0.010 (3)0.021 (3)
C100.095 (5)0.080 (5)0.075 (4)0.018 (4)0.006 (4)0.052 (4)
C110.103 (6)0.057 (4)0.073 (4)0.026 (4)0.009 (4)0.028 (3)
C120.076 (4)0.053 (4)0.046 (3)0.017 (3)0.005 (3)0.010 (3)
C130.040 (3)0.039 (3)0.027 (2)0.002 (2)0.004 (2)0.003 (2)
C140.031 (3)0.040 (3)0.030 (2)0.003 (2)0.004 (2)0.002 (2)
C150.036 (3)0.040 (3)0.033 (2)0.007 (2)0.008 (2)0.012 (2)
C160.039 (3)0.049 (3)0.041 (3)0.006 (2)0.007 (2)0.008 (2)
C170.045 (3)0.081 (4)0.048 (3)0.017 (3)0.004 (3)0.021 (3)
C180.042 (3)0.081 (4)0.049 (3)0.009 (3)0.003 (3)0.014 (3)
C190.055 (4)0.056 (4)0.063 (4)0.019 (3)0.017 (3)0.016 (3)
C200.044 (3)0.035 (3)0.037 (3)0.007 (2)0.014 (2)0.010 (2)
C210.070 (4)0.032 (3)0.037 (3)0.001 (3)0.010 (3)0.017 (2)
C220.048 (3)0.052 (3)0.044 (3)0.007 (3)0.008 (2)0.007 (2)
C230.057 (3)0.051 (3)0.040 (3)0.004 (3)0.006 (3)0.005 (2)
C240.049 (3)0.068 (4)0.053 (3)0.012 (3)0.003 (3)0.015 (3)
C250.073 (4)0.038 (3)0.044 (3)0.018 (3)0.003 (3)0.009 (2)
C260.091 (5)0.088 (5)0.056 (4)0.039 (4)0.010 (4)0.018 (4)
C270.119 (6)0.065 (4)0.082 (5)0.021 (4)0.007 (5)0.022 (4)
C280.147 (8)0.104 (6)0.060 (4)0.023 (5)0.001 (5)0.040 (4)
Geometric parameters (Å, º) top
Ti1—O11.864 (3)C17—C181.3900
Ti1—O22.007 (3)C18—C191.3900
Ti1—O41.863 (3)C19—C201.3900
Ti1—O52.008 (4)C20—C211.5390
Ti1—O71.878 (3)C22—C231.494 (7)
Ti1—O82.024 (3)C24—C251.508 (8)
O1—C11.345 (4)O1w—H1w10.85
O2—C71.288 (5)O1w—H1w20.86
O3—C71.251 (5)N1—H1a0.90
O4—C151.348 (4)N1—H1b0.90
O5—C211.280 (5)N2—H2a0.90
O6—C211.207 (5)N2—H2b0.90
O7—C81.346 (4)C2—H20.93
O8—C141.279 (5)C3—H30.93
O9—C141.254 (5)C4—H40.93
O10—C261.215 (7)C5—H50.93
N1—C221.473 (6)C9—H90.93
N1—C251.477 (6)C10—H100.93
N2—C231.471 (6)C11—H110.93
N2—C241.479 (7)C12—H120.93
N3—C261.288 (7)C16—H160.93
N3—C271.437 (7)C17—H170.93
N3—C281.441 (7)C18—H180.93
C1—C21.3900C19—H190.93
C1—C61.3900C22—H22a0.97
C2—C31.3900C22—H22b0.97
C3—C41.3900C23—H23a0.97
C4—C51.3900C23—H23b0.97
C5—C61.3900C24—H24a0.97
C6—C71.493 (6)C24—H24b0.97
C8—C91.3900C25—H25a0.97
C8—C131.3900C25—H25b0.97
C9—C101.3900C26—H260.93
C10—C111.3900C27—H27a0.96
C11—C121.3900C27—H27b0.96
C12—C131.3900C27—H27c0.96
C13—C141.477 (5)C28—H28a0.96
C15—C161.3900C28—H28b0.96
C15—C201.3900C28—H28c0.96
C16—C171.3900
O1—Ti1—O284.7 (1)H1w1—O1w—H1w2108.7
O1—Ti1—O497.0 (1)C22—N1—H1a109.5
O1—Ti1—O5168.3 (1)C25—N1—H1a109.5
O1—Ti1—O796.9 (2)C22—N1—H1b109.5
O1—Ti1—O892.6 (2)C25—N1—H1b109.5
O2—Ti1—O496.2 (1)H1a—N1—H1b108.1
O2—Ti1—O583.7 (1)C23—N2—H2a109.4
O2—Ti1—O7169.5 (1)C24—N2—H2a109.4
O2—Ti1—O884.5 (1)C23—N2—H2b109.4
O4—Ti1—O586.0 (1)C24—N2—H2b109.4
O4—Ti1—O793.9 (1)H2a—N2—H2b108.0
O4—Ti1—O8170.4 (2)C1—C2—H2120.0
O5—Ti1—O794.2 (2)C3—C2—H2120.0
O5—Ti1—O884.6 (1)C4—C3—H3120.0
O7—Ti1—O885.1 (1)C2—C3—H3120.0
C1—O1—Ti1133.1 (2)C5—C4—H4120.0
C7—O2—Ti1134.6 (3)C3—C4—H4120.0
C15—O4—Ti1133.6 (2)C4—C5—H5120.0
C21—O5—Ti1135.0 (2)C6—C5—H5120.0
C8—O7—Ti1134.2 (2)C10—C9—H9120.0
C14—O8—Ti1134.6 (3)C8—C9—H9120.0
C22—N1—C25110.6 (4)C11—C10—H10120.0
C23—N2—C24111.3 (4)C9—C10—H10120.0
C26—N3—C27119.8 (5)C10—C11—H11120.0
C26—N3—C28121.0 (5)C12—C11—H11120.0
C27—N3—C28119.2 (5)C13—C12—H12120.0
O1—C1—C2117.3 (2)C11—C12—H12120.0
O1—C1—C6122.6 (2)C17—C16—H16120.0
C2—C1—C6120.0C15—C16—H16120.0
C1—C2—C3120.0C16—C17—H17120.0
C4—C3—C2120.0C18—C17—H17120.0
C5—C4—C3120.0C17—C18—H18120.0
C4—C5—C6120.0C19—C18—H18120.0
C5—C6—C1120.0C20—C19—H19120.0
C5—C6—C7118.2 (3)C18—C19—H19120.0
C1—C6—C7121.8 (3)N1—C22—H22a109.7
O3—C7—O2119.7 (5)C23—C22—H22a109.7
O3—C7—C6121.5 (4)N1—C22—H22b109.7
O2—C7—C6118.7 (4)C23—C22—H22b109.7
O7—C8—C9116.3 (2)H22a—C22—H22b108.2
O7—C8—C13123.7 (2)N2—C23—H23a109.5
C9—C8—C13120.0C22—C23—H23a109.5
C10—C9—C8120.0N2—C23—H23b109.5
C11—C10—C9120.0C22—C23—H23b109.5
C10—C11—C12120.0H23a—C23—H23b108.1
C13—C12—C11120.0N2—C24—H24a109.4
C12—C13—C8120.0C25—C24—H24a109.4
C12—C13—C14117.7 (3)N2—C24—H24b109.4
C8—C13—C14122.1 (3)C25—C24—H24b109.4
O9—C14—O8120.1 (4)H24a—C24—H24b108.0
O9—C14—C13120.4 (4)N1—C25—H25a109.4
O8—C14—C13119.5 (4)C24—C25—H25a109.4
O4—C15—C16118.0 (2)N1—C25—H25b109.4
O4—C15—C20122.0 (2)C24—C25—H25b109.4
C16—C15—C20120.0H25a—C25—H25b108.0
C17—C16—C15120.0O10—C26—H26117.7
C16—C17—C18120.0N3—C26—H26117.7
C17—C18—C19120.0N3—C27—H27a109.5
C20—C19—C18120.0N3—C27—H27b109.5
C19—C20—C15120.0H27a—C27—H27b109.5
C19—C20—C21116.6N3—C27—H27c109.5
C15—C20—C21123.2H27a—C27—H27c109.5
O6—C21—O5123.7 (3)H27b—C27—H27c109.5
O6—C21—C20119.6 (3)N3—C28—H28a109.5
O5—C21—C20116.7 (2)N3—C28—H28b109.5
N1—C22—C23109.8 (4)H28a—C28—H28b109.5
N2—C23—C22110.8 (4)N3—C28—H28c109.5
N2—C24—C25111.4 (4)H28a—C28—H28c109.5
N1—C25—C24111.0 (4)H28b—C28—H28c109.5
O10—C26—N3124.7 (6)
O4—Ti1—O1—C1119.4 (3)C1—C6—C7—O3173.3 (3)
O7—Ti1—O1—C1145.8 (3)C5—C6—C7—O2171.2 (3)
O2—Ti1—O1—C123.8 (3)C1—C6—C7—O28.0 (5)
O5—Ti1—O1—C115.2 (9)Ti1—O7—C8—C9177.2 (3)
O8—Ti1—O1—C160.5 (3)Ti1—O7—C8—C130.8 (6)
O4—Ti1—O2—C7107.4 (4)O7—C8—C9—C10178.1 (4)
O1—Ti1—O2—C710.9 (4)C11—C12—C13—C14174.7 (3)
O7—Ti1—O2—C788.6 (9)O7—C8—C13—C12178.0 (4)
O5—Ti1—O2—C7167.4 (4)O7—C8—C13—C147.6 (4)
O8—Ti1—O2—C782.3 (4)C9—C8—C13—C14174.5 (4)
O1—Ti1—O4—C15171.2 (3)Ti1—O8—C14—O9173.5 (3)
O7—Ti1—O4—C1573.7 (4)Ti1—O8—C14—C133.9 (7)
O2—Ti1—O4—C15103.4 (3)C12—C13—C14—O92.2 (5)
O5—Ti1—O4—C1520.2 (4)C8—C13—C14—O9176.8 (3)
O4—Ti1—O5—C2112.0 (4)C12—C13—C14—O8179.6 (3)
O1—Ti1—O5—C21117.3 (7)C8—C13—C14—O85.8 (6)
O7—Ti1—O5—C2181.6 (4)Ti1—O4—C15—C16163.3 (2)
O2—Ti1—O5—C21108.7 (4)Ti1—O4—C15—C2015.6 (5)
O8—Ti1—O5—C21166.2 (4)O4—C15—C16—C17179.0 (3)
O4—Ti1—O7—C8163.7 (4)C18—C19—C20—C21176.2
O1—Ti1—O7—C898.8 (4)O4—C15—C20—C19178.9 (3)
O2—Ti1—O7—C80.5 (11)O4—C15—C20—C215.2 (3)
O5—Ti1—O7—C877.4 (4)C16—C15—C20—C21175.9
O8—Ti1—O7—C86.7 (4)Ti1—O5—C21—O6178.2 (3)
O1—Ti1—O8—C14105.2 (5)Ti1—O5—C21—C200.0 (5)
O7—Ti1—O8—C148.5 (5)C19—C20—C21—O69.6 (3)
O2—Ti1—O8—C14170.4 (5)C15—C20—C21—O6166.5 (3)
O5—Ti1—O8—C1486.2 (5)C19—C20—C21—O5172.1 (3)
Ti1—O1—C1—C2157.9 (2)C15—C20—C21—O511.9 (3)
Ti1—O1—C1—C624.5 (4)C25—N1—C22—C2359.4 (5)
O1—C1—C2—C3177.7 (3)C24—N2—C23—C2256.6 (6)
C4—C5—C6—C7179.2 (3)N1—C22—C23—N259.3 (5)
O1—C1—C6—C5177.5 (3)C23—N2—C24—C2553.6 (6)
O1—C1—C6—C73.3 (4)C22—N1—C25—C2456.7 (5)
C2—C1—C6—C7179.2 (3)N2—C24—C25—N153.6 (6)
Ti1—O2—C7—O3179.8 (3)C27—N3—C26—O102.8 (12)
Ti1—O2—C7—C61.0 (6)C28—N3—C26—O10179.1 (7)
C5—C6—C7—O37.5 (5)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1w—H1w1···O90.852.052.855 (5)161
O1w—H1w2···O8i0.862.212.939 (5)144
N1—H1a···O30.901.912.808 (5)177
N1—H1b···O10ii0.901.962.728 (6)142
N2—H2b···O60.901.832.726 (5)174
N2—H2a···O9iii0.902.042.840 (6)147
Symmetry codes: (i) x+2, y+2, z+1; (ii) x+1, y+1, z+1; (iii) x+1, y+2, z+1.
 

Follow Acta Cryst. E
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds