{2,6-Dinitro-6-[(2-oxidophen­yl)­imino­meth­yl]phenolato}(ethanol)(ethano­lato)oxidovanadium(V) at 100 K

The central V atom of the title complex, [V(C₁₃H₇N₃O₆)(C₂H₅O)O(C₂H₆O)], is positioned within a distorted octa­hedral coordination polyhedron formed by five O-donor atoms and one imine N atom. An axially bound ethanol solvent molecule forms an inter­molecular hydrogen bond with the imino­phenolate O atom of a neighboring complex, linking mol­ecules into centrosymmetric dimers.

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean [sigma](C-C) = 0.006 Å
• R factor = 0.055
• wR factor = 0.160
• Data-to-parameter ratio = 12.7

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low .......       0.95
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.69 Ratio

Alert level C
REFLT03_ALERT_3_C  Reflection count < 95% complete
           From the CIF: _diffrn_reflns_theta_max           26.37
           From the CIF: _diffrn_reflns_theta_full          26.37
           From the CIF: _reflns_number_total               3781
           TEST2: Reflns within _diffrn_reflns_theta_max
           Count of symmetry unique reflns         3991
           Completeness (_total/calc)             94.74%
PLAT022_ALERT_3_C Ratio Unique / Expected Reflections too Low ....       0.95
PLAT048_ALERT_1_C MoietyFormula Not Given ........................          ?
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.01
PLAT164_ALERT_4_C Nr. of Refined C-H H-Atoms in Heavy-At Struct...          7
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       3.05 Ratio
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.50 Ratio
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  V1     -   O5      ..       5.46 su
PLAT350_ALERT_3_C Short   C-H Bond (0.96A)   C5     -   H5     ...       0.79 Ang.
PLAT351_ALERT_3_C Long    C-H Bond (0.96A)   C10    -   H10    ...       1.12 Ang.
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         75
            C16 -O5  -V1  -O1    -92.70  1.60   1.555   1.555   1.555   1.555
PLAT731_ALERT_1_C Bond    Calc     0.81(4), Rep   0.810(10) ......       4.00 su-Ra
              O5   -H5A     1.555   1.555
PLAT735_ALERT_1_C D-H     Calc     0.81(4), Rep   0.810(10) ......       4.00 su-Ra
              O5   -H5A     1.555   1.555
PLAT736_ALERT_1_C H...A   Calc     1.99(4), Rep   1.987(14) ......       2.86 su-Ra
              H5A  -O2      1.555   5.665

   0 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
  14 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   4 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
   6 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

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Computing details

Data collection: CrysAlis CCD (Oxford Diffraction, 2006); cell refinement: CrysAlis RED (Oxford Diffraction, 2006); data reduction: CrysAlis RED; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek 2003) and ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: SHELXL97.

(Ethanol)(ethanolato){2,6-dinitro-6-[(2- oxidophenyl)iminomethyl]phenolato}oxidovanadium(V)

Crystal data

[V(C13H7N3O6)(C2H5O)O(C2H6O)]	F(000) = 1888
Mr = 459.28	Dx = 1.567 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 1606 reflections
a = 21.109 (2) Å	θ = 2.4–24.4°
b = 8.271 (1) Å	µ = 0.57 mm^−1
c = 23.249 (3) Å	T = 100 K
β = 106.38 (1)°	Prism, dark brown
V = 3894.4 (8) Å^3	0.44 × 0.20 × 0.04 mm
Z = 8

Data collection

Oxford Diffraction Xcalibur with Sapphire CCD detector diffractometer	3781 independent reflections
Radiation source: Enhance (Mo) X-ray Source	2446 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.040
Detector resolution: 8.4012 pixels mm^-1	θmax = 26.4°, θmin = 4.2°
Rotation method data acquisition using ω and φ scans	h = −23→25
Absorption correction: multi-scan (CrysAlis RED; Oxford Diffraction, 2006)	k = −10→9
Tmin = 0.789, Tmax = 0.978	l = −28→29
10522 measured reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.055	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.160	H atoms treated by a mixture of independent and constrained refinement
S = 1.05	w = 1/[σ^2(Fo^2) + (0.0783P)^2 + 8.9202P] where P = (Fo^2 + 2Fc^2)/3
3781 reflections	(Δ/σ)max < 0.001
297 parameters	Δρmax = 1.12 e Å^−3
1 restraint	Δρmin = −0.56 e Å^−3

Special details

Experimental. ⁵¹V NMR (105 MHz, EtOH/CDCl₃, p.p.m.): -535; IR (KBr): 962 cm^-1 (V═O).

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 (Ų)

	x	y	z	Uiso*/Ueq
C1	0.37285 (19)	0.4511 (5)	−0.08322 (17)	0.0178 (9)
C2	0.3698 (2)	0.5096 (5)	−0.14007 (18)	0.0228 (10)
H2	0.393 (2)	0.598 (6)	−0.1464 (18)	0.027*
C3	0.3305 (2)	0.4315 (5)	−0.19012 (18)	0.0230 (10)
H3	0.329 (2)	0.472 (5)	−0.2316 (19)	0.028*
C4	0.2947 (2)	0.2937 (5)	−0.18355 (18)	0.0221 (9)
H4	0.270 (2)	0.233 (5)	−0.2200 (18)	0.027*
C5	0.2969 (2)	0.2362 (5)	−0.12764 (18)	0.0190 (9)
H5	0.275 (2)	0.159 (6)	−0.1269 (19)	0.023*
C6	0.3365 (2)	0.3160 (5)	−0.07697 (16)	0.0156 (8)
C7	0.3175 (2)	0.1444 (5)	−0.00180 (17)	0.0166 (9)
H7	0.292 (2)	0.078 (5)	−0.0315 (18)	0.020*
C8	0.36449 (19)	0.1737 (5)	0.10971 (17)	0.0164 (9)
C9	0.3674 (2)	0.1043 (5)	0.16606 (17)	0.0211 (9)
C10	0.3364 (2)	−0.0376 (5)	0.17269 (17)	0.0200 (9)
H10	0.347 (2)	−0.087 (5)	0.2193 (18)	0.024*
C11	0.2978 (2)	−0.1143 (5)	0.12121 (17)	0.0186 (9)
C12	0.2919 (2)	−0.0521 (5)	0.06508 (17)	0.0180 (9)
H12	0.2645 (19)	−0.110 (5)	0.0303 (17)	0.022*
C13	0.32465 (19)	0.0889 (5)	0.05852 (17)	0.0165 (9)
C14	0.4726 (2)	0.7266 (6)	0.1097 (2)	0.0321 (11)
H14A	0.4316	0.7869	0.0905	0.039*
H14B	0.5103	0.7870	0.1028	0.039*
C15	0.4809 (3)	0.7113 (8)	0.1751 (2)	0.0582 (18)
H15A	0.5199	0.6451	0.1933	0.070*
H15B	0.4417	0.6598	0.1816	0.070*
H15C	0.4867	0.8189	0.1935	0.070*
C16	0.5116 (2)	0.1545 (5)	0.0792 (2)	0.0281 (10)
H16A	0.4776	0.0707	0.0773	0.034*
H16B	0.5230	0.2027	0.1198	0.034*
C17	0.5718 (2)	0.0759 (6)	0.0699 (2)	0.0397 (13)
H17A	0.6056	0.1581	0.0714	0.048*
H17B	0.5603	0.0223	0.0308	0.048*
H17C	0.5888	−0.0043	0.1016	0.048*
N1	0.34418 (16)	0.2729 (4)	−0.01624 (13)	0.0160 (7)
N2	0.26322 (17)	−0.2627 (4)	0.12687 (15)	0.0222 (8)
N3	0.4043 (2)	0.1869 (5)	0.22153 (16)	0.0304 (9)
O1	0.34078 (14)	0.5616 (4)	0.04592 (12)	0.0245 (7)
O2	0.41098 (13)	0.5200 (3)	−0.03254 (11)	0.0176 (6)
O3	0.39724 (14)	0.3027 (3)	0.10499 (11)	0.0208 (6)
O4	0.46938 (13)	0.5685 (3)	0.08408 (11)	0.0197 (6)
O5	0.48396 (13)	0.2797 (3)	0.03533 (12)	0.0188 (6)
H5A	0.5138 (15)	0.333 (5)	0.0294 (18)	0.023*
O6	0.22456 (14)	−0.3178 (3)	0.08142 (12)	0.0248 (7)
O7	0.27483 (18)	−0.3275 (4)	0.17588 (13)	0.0414 (9)
O8	0.4313 (2)	0.1009 (5)	0.26400 (15)	0.0539 (11)
O9	0.40328 (19)	0.3340 (4)	0.22267 (14)	0.0436 (10)
V1	0.40196 (3)	0.45238 (8)	0.04354 (3)	0.0173 (2)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1	0.020 (2)	0.014 (2)	0.020 (2)	0.0019 (18)	0.0046 (16)	−0.0011 (17)
C2	0.024 (2)	0.019 (2)	0.025 (2)	−0.0053 (19)	0.0059 (18)	0.0027 (18)
C3	0.027 (2)	0.023 (2)	0.021 (2)	−0.0005 (19)	0.0081 (18)	0.0019 (18)
C4	0.024 (2)	0.021 (2)	0.021 (2)	−0.0056 (19)	0.0064 (18)	−0.0031 (18)
C5	0.020 (2)	0.010 (2)	0.028 (2)	−0.0021 (18)	0.0075 (18)	0.0010 (17)
C6	0.019 (2)	0.010 (2)	0.0187 (19)	−0.0002 (16)	0.0064 (16)	0.0013 (15)
C7	0.016 (2)	0.014 (2)	0.020 (2)	0.0015 (17)	0.0035 (16)	−0.0007 (16)
C8	0.013 (2)	0.014 (2)	0.024 (2)	−0.0014 (17)	0.0071 (16)	−0.0003 (16)
C9	0.023 (2)	0.019 (2)	0.020 (2)	−0.0023 (18)	0.0043 (17)	−0.0047 (17)
C10	0.025 (2)	0.015 (2)	0.020 (2)	−0.0003 (18)	0.0060 (17)	0.0006 (17)
C11	0.021 (2)	0.013 (2)	0.024 (2)	0.0008 (17)	0.0094 (17)	0.0005 (16)
C12	0.017 (2)	0.015 (2)	0.021 (2)	0.0007 (18)	0.0029 (16)	−0.0046 (17)
C13	0.016 (2)	0.013 (2)	0.021 (2)	0.0010 (16)	0.0071 (16)	0.0009 (16)
C14	0.032 (3)	0.018 (2)	0.044 (3)	−0.008 (2)	0.008 (2)	−0.010 (2)
C15	0.065 (4)	0.057 (4)	0.043 (3)	0.017 (3)	−0.001 (3)	−0.028 (3)
C16	0.026 (3)	0.017 (2)	0.042 (3)	−0.001 (2)	0.010 (2)	0.007 (2)
C17	0.023 (3)	0.017 (3)	0.077 (4)	0.004 (2)	0.013 (2)	0.004 (2)
N1	0.0161 (17)	0.0146 (18)	0.0176 (16)	−0.0008 (15)	0.0052 (13)	−0.0018 (14)
N2	0.027 (2)	0.018 (2)	0.0232 (19)	−0.0058 (16)	0.0108 (16)	0.0017 (15)
N3	0.042 (3)	0.025 (2)	0.022 (2)	−0.0090 (19)	0.0059 (17)	−0.0030 (17)
O1	0.0244 (16)	0.0209 (17)	0.0265 (15)	0.0023 (13)	0.0042 (12)	−0.0054 (13)
O2	0.0207 (15)	0.0120 (15)	0.0175 (13)	−0.0065 (12)	0.0010 (11)	0.0009 (11)
O3	0.0234 (16)	0.0209 (16)	0.0179 (14)	−0.0061 (13)	0.0056 (12)	−0.0018 (11)
O4	0.0206 (15)	0.0144 (15)	0.0232 (15)	−0.0037 (12)	0.0045 (12)	−0.0049 (12)
O5	0.0185 (16)	0.0160 (16)	0.0211 (14)	−0.0074 (13)	0.0041 (12)	0.0022 (12)
O6	0.0266 (17)	0.0194 (17)	0.0271 (16)	−0.0055 (13)	0.0056 (13)	0.0002 (13)
O7	0.062 (2)	0.032 (2)	0.0267 (18)	−0.0168 (18)	0.0058 (16)	0.0120 (15)
O8	0.082 (3)	0.038 (2)	0.0260 (18)	−0.017 (2)	−0.0096 (18)	0.0051 (16)
O9	0.073 (3)	0.026 (2)	0.0326 (18)	−0.0140 (19)	0.0165 (18)	−0.0107 (15)
V1	0.0181 (4)	0.0130 (4)	0.0205 (4)	−0.0022 (3)	0.0048 (3)	−0.0021 (3)

Geometric parameters (Å, º)

C1—O2	1.351 (4)	C14—O4	1.431 (5)
C1—C6	1.387 (5)	C14—C15	1.486 (7)
C1—C2	1.392 (6)	C14—H14A	0.9900
C2—C3	1.384 (6)	C14—H14B	0.9900
C2—H2	0.92 (5)	C15—H15A	0.9800
C3—C4	1.400 (6)	C15—H15B	0.9800
C3—H3	1.01 (4)	C15—H15C	0.9800
C4—C5	1.373 (6)	C16—O5	1.455 (5)
C4—H4	1.00 (4)	C16—C17	1.496 (6)
C5—C6	1.403 (5)	C16—H16A	0.9900
C5—H5	0.78 (4)	C16—H16B	0.9900
C6—N1	1.420 (5)	C17—H17A	0.9800
C7—N1	1.290 (5)	C17—H17B	0.9800
C7—C13	1.443 (5)	C17—H17C	0.9800
C7—H7	0.93 (4)	N1—V1	2.161 (3)
C8—O3	1.293 (5)	N2—O7	1.220 (4)
C8—C9	1.416 (5)	N2—O6	1.226 (4)
C8—C13	1.432 (5)	N3—O9	1.218 (5)
C9—C10	1.374 (6)	N3—O8	1.220 (5)
C9—N3	1.473 (5)	O1—V1	1.590 (3)
C10—C11	1.396 (6)	O2—V1	1.915 (3)
C10—H10	1.12 (4)	O3—V1	1.914 (3)
C11—C12	1.375 (5)	O4—V1	1.755 (3)
C11—N2	1.453 (5)	O5—V1	2.293 (3)
C12—C13	1.386 (6)	O5—H5A	0.810 (10)
C12—H12	0.98 (4)
O2—C1—C6	117.4 (3)	H15A—C15—H15B	109.5
O2—C1—C2	122.6 (4)	C14—C15—H15C	109.5
C6—C1—C2	120.1 (4)	H15A—C15—H15C	109.5
C3—C2—C1	119.5 (4)	H15B—C15—H15C	109.5
C3—C2—H2	117 (3)	O5—C16—C17	113.4 (4)
C1—C2—H2	123 (3)	O5—C16—H16A	108.9
C2—C3—C4	120.1 (4)	C17—C16—H16A	108.9
C2—C3—H3	120 (2)	O5—C16—H16B	108.9
C4—C3—H3	120 (2)	C17—C16—H16B	108.9
C5—C4—C3	120.7 (4)	H16A—C16—H16B	107.7
C5—C4—H4	120 (3)	C16—C17—H17A	109.5
C3—C4—H4	119 (2)	C16—C17—H17B	109.5
C4—C5—C6	119.0 (4)	H17A—C17—H17B	109.5
C4—C5—H5	116 (3)	C16—C17—H17C	109.5
C6—C5—H5	125 (3)	H17A—C17—H17C	109.5
C1—C6—C5	120.5 (4)	H17B—C17—H17C	109.5
C1—C6—N1	113.3 (3)	C7—N1—C6	122.0 (3)
C5—C6—N1	126.2 (4)	C7—N1—V1	127.4 (3)
N1—C7—C13	125.6 (4)	C6—N1—V1	110.6 (2)
N1—C7—H7	120 (3)	O7—N2—O6	123.5 (4)
C13—C7—H7	114 (3)	O7—N2—C11	118.8 (3)
O3—C8—C9	121.9 (3)	O6—N2—C11	117.7 (3)
O3—C8—C13	122.4 (3)	O9—N3—O8	124.9 (4)
C9—C8—C13	115.6 (4)	O9—N3—C9	118.3 (4)
C10—C9—C8	123.5 (4)	O8—N3—C9	116.7 (4)
C10—C9—N3	116.7 (4)	C1—O2—V1	119.5 (2)
C8—C9—N3	119.8 (4)	C8—O3—V1	137.6 (2)
C9—C10—C11	118.3 (4)	C14—O4—V1	131.3 (3)
C9—C10—H10	117 (2)	C16—O5—V1	123.2 (2)
C11—C10—H10	125 (2)	C16—O5—H5A	109 (3)
C12—C11—C10	121.2 (4)	V1—O5—H5A	109 (3)
C12—C11—N2	119.2 (4)	O1—V1—O4	102.36 (14)
C10—C11—N2	119.5 (4)	O1—V1—O3	97.34 (14)
C11—C12—C13	120.3 (4)	O4—V1—O3	99.10 (12)
C11—C12—H12	118 (2)	O1—V1—O2	99.18 (13)
C13—C12—H12	121 (2)	O4—V1—O2	93.41 (12)
C12—C13—C8	121.0 (4)	O3—V1—O2	156.62 (12)
C12—C13—C7	117.1 (4)	O1—V1—N1	95.52 (14)
C8—C13—C7	121.9 (4)	O4—V1—N1	161.23 (13)
O4—C14—C15	109.0 (4)	O3—V1—N1	84.08 (12)
O4—C14—H14A	109.9	O2—V1—N1	77.97 (12)
C15—C14—H14A	109.9	O1—V1—O5	175.18 (13)
O4—C14—H14B	109.9	O4—V1—O5	82.46 (11)
C15—C14—H14B	109.9	O3—V1—O5	81.88 (11)
H14A—C14—H14B	108.3	O2—V1—O5	80.27 (11)
C14—C15—H15A	109.5	N1—V1—O5	79.68 (11)
C14—C15—H15B	109.5
O2—C1—C2—C3	178.9 (4)	C8—C9—N3—O9	36.2 (6)
C6—C1—C2—C3	−0.2 (6)	C10—C9—N3—O8	34.0 (6)
C1—C2—C3—C4	−0.7 (7)	C8—C9—N3—O8	−147.1 (4)
C2—C3—C4—C5	1.4 (7)	C6—C1—O2—V1	−10.2 (5)
C3—C4—C5—C6	−1.1 (6)	C2—C1—O2—V1	170.5 (3)
O2—C1—C6—C5	−178.7 (4)	C9—C8—O3—V1	−170.8 (3)
C2—C1—C6—C5	0.6 (6)	C13—C8—O3—V1	11.2 (6)
O2—C1—C6—N1	1.6 (5)	C15—C14—O4—V1	100.7 (4)
C2—C1—C6—N1	−179.2 (4)	C17—C16—O5—V1	−170.3 (3)
C4—C5—C6—C1	0.1 (6)	C14—O4—V1—O1	−4.6 (4)
C4—C5—C6—N1	179.8 (4)	C14—O4—V1—O3	−104.3 (3)
O3—C8—C9—C10	−176.2 (4)	C14—O4—V1—O2	95.6 (3)
C13—C8—C9—C10	2.0 (6)	C14—O4—V1—N1	157.3 (4)
O3—C8—C9—N3	5.0 (6)	C14—O4—V1—O5	175.3 (3)
C13—C8—C9—N3	−176.9 (4)	C8—O3—V1—O1	82.5 (4)
C8—C9—C10—C11	−2.6 (6)	C8—O3—V1—O4	−173.7 (4)
N3—C9—C10—C11	176.3 (4)	C8—O3—V1—O2	−52.2 (5)
C9—C10—C11—C12	1.4 (6)	C8—O3—V1—N1	−12.3 (4)
C9—C10—C11—N2	−178.7 (4)	C8—O3—V1—O5	−92.7 (4)
C10—C11—C12—C13	0.2 (6)	C1—O2—V1—O1	−83.4 (3)
N2—C11—C12—C13	−179.6 (4)	C1—O2—V1—O4	173.5 (3)
C11—C12—C13—C8	−0.8 (6)	C1—O2—V1—O3	51.0 (4)
C11—C12—C13—C7	178.4 (4)	C1—O2—V1—N1	10.3 (3)
O3—C8—C13—C12	177.9 (4)	C1—O2—V1—O5	91.7 (3)
C9—C8—C13—C12	−0.3 (6)	C7—N1—V1—O1	−88.7 (3)
O3—C8—C13—C7	−1.2 (6)	C6—N1—V1—O1	89.5 (3)
C9—C8—C13—C7	−179.4 (4)	C7—N1—V1—O4	109.0 (5)
N1—C7—C13—C12	179.7 (4)	C6—N1—V1—O4	−72.8 (5)
N1—C7—C13—C8	−1.1 (6)	C7—N1—V1—O3	8.1 (3)
C13—C7—N1—C6	177.8 (4)	C6—N1—V1—O3	−173.7 (3)
C13—C7—N1—V1	−4.2 (6)	C7—N1—V1—O2	173.0 (4)
C1—C6—N1—C7	−175.4 (4)	C6—N1—V1—O2	−8.7 (2)
C5—C6—N1—C7	4.8 (6)	C7—N1—V1—O5	90.9 (3)
C1—C6—N1—V1	6.2 (4)	C6—N1—V1—O5	−90.9 (2)
C5—C6—N1—V1	−173.5 (3)	C16—O5—V1—O1	−92.7 (16)
C12—C11—N2—O7	171.3 (4)	C16—O5—V1—O4	88.7 (3)
C10—C11—N2—O7	−8.5 (6)	C16—O5—V1—O3	−11.7 (3)
C12—C11—N2—O6	−7.4 (5)	C16—O5—V1—O2	−176.5 (3)
C10—C11—N2—O6	172.7 (4)	C16—O5—V1—N1	−97.1 (3)
C10—C9—N3—O9	−142.8 (4)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O5—H5A···O2^i	0.81 (1)	1.99 (1)	2.784 (4)	168 (4)

Symmetry code: (i) −x+1, −y+1, −z.