tert-Butyl N-[(S)-3-isobutyl-2-oxooxetan-3-yl]carbamate.

The structure of the title compound, C(12)H(21)NO(4), contains two crystallographically independent mol-ecules in the asymmetric unit. Mol-ecules are linked into pseudosymmetric R(2) (2)(8) dimers through two N-H⋯O hydrogen bonds. The dimers are connected by weak C-H⋯O inter-actions, resulting in a three-dimensional network.

Related literature

For related literature, see: Etter et al. (1990 ▶); Olma (2004 ▶); Olma & Kudaj (2005 ▶); Pansare et al. (1991 ▶); Smith & Goodman (2003 ▶); Yang & Romo (1999 ▶).

Experimental

Crystal data

C12H21NO4

M = 243.30

Triclinic,

a = 6.1642 (7) Å

b = 11.2018 (16) Å

c = 11.6915 (14) Å

α = 115.936 (14)°

β = 100.621 (10)°

γ = 95.362 (11)°

V = 699.58 (19) Å3

Z = 2

Mo Kα radiation

μ = 0.09 mm−1

T = 293 K

0.25 × 0.20 × 0.10 mm

Data collection

KUMA KM4CCD diffractometer

Absorption correction: none

7367 measured reflections

2451 independent reflections

1367 reflections with I > 2σ(I)

R int = 0.032

Refinement

R[F 2 > 2σ(F 2)] = 0.046

wR(F 2) = 0.118

S = 0.96

2451 reflections

317 parameters

3 restraints

H-atom parameters constrained

Δρmax = 0.12 e Å−3

Δρmin = −0.12 e Å−3

Data collection: CrysAlis CCD (Oxford Diffraction, 2007 ▶); cell refinement: CrysAlis RED (Oxford Diffraction, 2007 ▶); data reduction: CrysAlis RED; program(s) used to solve structure: SHELXTL (Bruker, 2000 ▶); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL and POV-RAY (Persistence of Vision, 2004 ▶); software used to prepare material for publication: PLATON (Spek, 2003 ▶).

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536807063866/sg2209sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536807063866/sg2209Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

C12H21NO4	Z = 2
Mr = 243.30	F000 = 264
Triclinic, P1	Dx = 1.155 Mg m−3
Hall symbol: P 1	Melting point = 382–383 K
a = 6.1642 (7) Å	Mo Kα radiation λ = 0.71073 Å
b = 11.2018 (16) Å	Cell parameters from 4065 reflections
c = 11.6915 (14) Å	θ = 3.4–26.0º
α = 115.936 (14)º	µ = 0.09 mm−1
β = 100.621 (10)º	T = 293 K
γ = 95.362 (11)º	Rectangular plate, colourless
V = 699.58 (19) Å3	0.25 × 0.20 × 0.10 mm

KUMA KM4CCD diffractometer	1367 reflections with I > 2σ(I)
Monochromator: graphite	Rint = 0.032
Detector resolution: 8.2356 pixels mm-1	θmax = 25.0º
T = 293 K	θmin = 3.4º
ω scans	h = −7→7
Absorption correction: none	k = −13→12
7367 measured reflections	l = −13→13
2451 independent reflections

Refinement on F2	Secondary atom site location: structure-invariant direct methods
Least-squares matrix: full	Hydrogen site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.046	H-atom parameters constrained
wR(F2) = 0.118	w = 1/[σ2(Fo2) + (0.062P)2] where P = (Fo2 + 2Fc2)/3
S = 0.96	(Δ/σ)max < 0.001
2451 reflections	Δρmax = 0.12 e Å−3
317 parameters	Δρmin = −0.12 e Å−3
3 restraints	Extinction correction: none
Primary atom site location: structure-invariant direct methods

Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All su's are estimated from the variances of the (full) variance-covariance matrix. The cell e.s.d.'s are taken into account in the estimation of distances, angles and torsion angles

Refinement. Refinement on F2 for ALL reflections except those flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The observed criterion of F2 > σ(F2) is used only for calculating -R-factor-obs 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
O1	1.4399 (10)	0.1757 (5)	0.4830 (5)	0.109 (2)
O2	1.1035 (11)	0.2386 (5)	0.4645 (6)	0.142 (3)
O9	1.1871 (6)	0.1402 (4)	0.0465 (4)	0.0732 (16)
O10	1.4040 (5)	0.2338 (4)	0.2538 (3)	0.0632 (12)
N8	1.1595 (7)	0.0423 (5)	0.1767 (4)	0.0608 (17)
C2	1.2281 (16)	0.1651 (7)	0.4225 (7)	0.094 (4)
C3	1.2177 (8)	0.0381 (6)	0.3000 (5)	0.056 (2)
C4	1.4709 (10)	0.0600 (7)	0.3684 (7)	0.080 (3)
C5	1.0644 (10)	−0.0818 (6)	0.2932 (6)	0.065 (2)
C6	1.0612 (10)	−0.2220 (6)	0.1830 (6)	0.071 (2)
C7	1.2908 (11)	−0.2562 (7)	0.1790 (6)	0.084 (3)
C8	0.9089 (13)	−0.3259 (7)	0.1990 (9)	0.116 (4)
C9	1.2485 (9)	0.1394 (6)	0.1522 (6)	0.057 (2)
C11	1.5447 (9)	0.3418 (6)	0.2464 (6)	0.0630 (19)
C12	1.6836 (12)	0.2758 (8)	0.1487 (7)	0.108 (3)
C13	1.4015 (13)	0.4276 (8)	0.2093 (10)	0.129 (4)
C14	1.6964 (11)	0.4200 (7)	0.3820 (7)	0.093 (3)
O21	0.5614 (6)	−0.1756 (4)	−0.4839 (4)	0.0800 (16)
O22	0.3389 (6)	−0.0513 (4)	−0.3675 (4)	0.0866 (16)
O29	0.7503 (6)	−0.1196 (4)	−0.0326 (4)	0.0771 (17)
O30	0.5507 (5)	−0.2205 (4)	−0.2453 (3)	0.0622 (16)
N28	0.8048 (6)	−0.0325 (4)	−0.1694 (4)	0.0567 (17)
C22	0.5175 (10)	−0.0792 (7)	−0.3759 (6)	0.066 (3)
C23	0.7590 (8)	−0.0328 (6)	−0.2933 (6)	0.052 (2)
C24	0.7917 (9)	−0.1606 (6)	−0.4128 (6)	0.071 (2)
C25	0.8812 (9)	0.0973 (5)	−0.2828 (6)	0.058 (2)
C26	0.8569 (10)	0.2326 (6)	−0.1764 (6)	0.067 (2)
C27	0.6166 (11)	0.2527 (7)	−0.1836 (7)	0.091 (3)
C28	1.0010 (13)	0.3476 (7)	−0.1818 (8)	0.104 (3)
C29	0.7063 (9)	−0.1247 (6)	−0.1397 (6)	0.055 (2)
C31	0.3953 (9)	−0.3211 (6)	−0.2350 (6)	0.063 (2)
C32	0.2568 (11)	−0.2483 (9)	−0.1438 (8)	0.107 (3)
C33	0.5216 (11)	−0.4104 (8)	−0.1981 (9)	0.108 (3)
C34	0.2499 (10)	−0.3999 (7)	−0.3762 (6)	0.091 (3)
H4A	1.50880	−0.01380	0.38540	0.0960*
H4B	1.57410	0.08380	0.32490	0.0960*
H5A	1.10960	−0.08350	0.37640	0.0780*
H5B	0.91190	−0.06560	0.28400	0.0780*
H6	0.99370	−0.22450	0.09910	0.0850*
H7A	1.36120	−0.25310	0.26080	0.1260*
H7B	1.38140	−0.19170	0.16490	0.1260*
H7C	1.27650	−0.34540	0.10860	0.1260*
H8	1.05900	−0.02320	0.11360	0.0730*
H8A	0.90490	−0.41500	0.13110	0.1740*
H8B	0.75960	−0.30710	0.19250	0.1740*
H8C	0.96630	−0.32100	0.28330	0.1740*
H12A	1.74390	0.20690	0.16460	0.1610*
H12B	1.80490	0.34300	0.15920	0.1610*
H12C	1.58960	0.23580	0.06080	0.1610*
H13A	1.30920	0.37430	0.12130	0.1930*
H13B	1.49690	0.50330	0.21410	0.1930*
H13C	1.30720	0.45980	0.26880	0.1930*
H14A	1.60960	0.43350	0.44550	0.1400*
H14B	1.76670	0.50620	0.39410	0.1400*
H14C	1.80990	0.37030	0.39360	0.1400*
H24A	0.90530	−0.14110	−0.45310	0.0860*
H24B	0.81610	−0.23510	−0.39400	0.0860*
H25A	0.83120	0.09650	−0.36690	0.0700*
H25B	1.04040	0.09470	−0.27000	0.0700*
H26	0.91720	0.23590	−0.09120	0.0800*
H27A	0.55490	0.25370	−0.26470	0.1370*
H27B	0.61350	0.33720	−0.11110	0.1370*
H27C	0.52870	0.17990	−0.17940	0.1370*
H28	0.90560	0.03320	−0.10670	0.0680*
H28A	0.94980	0.34450	−0.26590	0.1560*
H28B	1.15540	0.33770	−0.16910	0.1560*
H28C	0.98850	0.43280	−0.11380	0.1560*
H32A	0.14490	−0.31310	−0.14260	0.1600*
H32B	0.18430	−0.19110	−0.17350	0.1600*
H32C	0.35230	−0.19400	−0.05690	0.1600*
H33A	0.63820	−0.43120	−0.24390	0.1630*
H33B	0.42080	−0.49270	−0.22130	0.1630*
H33C	0.58780	−0.36520	−0.10510	0.1630*
H34A	0.34100	−0.44600	−0.43350	0.1370*
H34B	0.18640	−0.33820	−0.40280	0.1370*
H34C	0.13090	−0.46490	−0.38080	0.1370*

	U11	U22	U33	U12	U13	U23
O1	0.150 (5)	0.095 (4)	0.059 (3)	−0.023 (3)	−0.016 (3)	0.040 (3)
O2	0.215 (6)	0.089 (3)	0.128 (4)	0.045 (4)	0.085 (4)	0.038 (3)
O9	0.078 (2)	0.077 (3)	0.055 (3)	−0.016 (2)	−0.014 (2)	0.040 (2)
O10	0.064 (2)	0.063 (2)	0.052 (2)	−0.014 (2)	−0.005 (2)	0.030 (2)
N8	0.066 (3)	0.060 (3)	0.055 (3)	−0.011 (2)	−0.008 (2)	0.039 (3)
C2	0.149 (8)	0.068 (5)	0.081 (6)	0.021 (5)	0.033 (5)	0.048 (4)
C3	0.070 (4)	0.058 (4)	0.037 (3)	0.007 (3)	0.006 (3)	0.024 (3)
C4	0.091 (5)	0.077 (4)	0.071 (4)	0.000 (4)	−0.007 (3)	0.048 (4)
C5	0.077 (4)	0.070 (4)	0.066 (4)	0.014 (3)	0.023 (3)	0.046 (4)
C6	0.080 (4)	0.064 (4)	0.071 (4)	0.006 (3)	0.005 (3)	0.040 (4)
C7	0.112 (5)	0.079 (4)	0.073 (4)	0.032 (4)	0.028 (4)	0.042 (4)
C8	0.125 (6)	0.072 (4)	0.158 (8)	−0.008 (4)	0.036 (5)	0.064 (5)
C9	0.050 (3)	0.068 (4)	0.048 (4)	0.001 (3)	−0.006 (3)	0.033 (4)
C11	0.062 (3)	0.049 (3)	0.071 (4)	−0.006 (3)	0.004 (3)	0.030 (3)
C12	0.097 (5)	0.123 (6)	0.097 (6)	−0.009 (5)	0.037 (4)	0.046 (5)
C13	0.108 (6)	0.082 (5)	0.203 (10)	0.003 (5)	−0.002 (6)	0.091 (6)
C14	0.095 (5)	0.075 (4)	0.080 (5)	−0.023 (4)	0.001 (4)	0.027 (4)
O21	0.087 (3)	0.089 (3)	0.041 (2)	0.005 (2)	0.007 (2)	0.016 (2)
O22	0.063 (2)	0.100 (3)	0.093 (3)	0.014 (2)	0.004 (2)	0.048 (2)
O29	0.086 (3)	0.082 (3)	0.061 (3)	−0.016 (2)	−0.014 (2)	0.050 (3)
O30	0.063 (2)	0.063 (3)	0.053 (3)	−0.010 (2)	−0.002 (2)	0.031 (2)
N28	0.060 (3)	0.053 (3)	0.050 (3)	−0.008 (2)	−0.006 (2)	0.029 (2)
C22	0.056 (4)	0.089 (5)	0.065 (4)	0.012 (3)	0.008 (3)	0.050 (4)
C23	0.042 (3)	0.061 (4)	0.058 (4)	0.002 (3)	0.006 (3)	0.035 (3)
C24	0.060 (3)	0.082 (4)	0.054 (4)	0.007 (3)	0.011 (3)	0.019 (3)
C25	0.059 (3)	0.064 (4)	0.055 (4)	0.008 (3)	0.013 (3)	0.032 (3)
C26	0.077 (4)	0.064 (4)	0.070 (4)	0.011 (3)	0.014 (3)	0.043 (3)
C27	0.094 (5)	0.094 (5)	0.077 (5)	0.032 (4)	0.018 (3)	0.031 (4)
C28	0.123 (6)	0.074 (5)	0.112 (6)	−0.001 (4)	0.029 (4)	0.044 (4)
C29	0.056 (4)	0.047 (4)	0.055 (4)	−0.001 (3)	−0.002 (3)	0.027 (4)
C31	0.047 (3)	0.072 (4)	0.067 (4)	−0.003 (3)	0.008 (3)	0.035 (4)
C32	0.078 (5)	0.151 (7)	0.086 (5)	0.010 (5)	0.029 (4)	0.050 (5)
C33	0.084 (4)	0.090 (5)	0.157 (7)	0.000 (4)	−0.012 (5)	0.082 (5)
C34	0.066 (4)	0.085 (5)	0.083 (5)	−0.013 (4)	−0.002 (4)	0.017 (4)

O1—C2	1.333 (11)	C12—H12A	0.96
O1—C4	1.461 (9)	C12—H12B	0.96
O2—C2	1.189 (12)	C12—H12C	0.96
O9—C9	1.228 (8)	C13—H13B	0.96
O10—C9	1.319 (7)	C13—H13A	0.96
O10—C11	1.465 (8)	C13—H13C	0.96
O21—C22	1.350 (8)	C14—H14B	0.96
O21—C24	1.460 (7)	C14—H14C	0.96
O22—C22	1.182 (8)	C14—H14A	0.96
O29—C29	1.206 (8)	C22—C23	1.518 (8)
O30—C31	1.470 (8)	C23—C24	1.565 (9)
O30—C29	1.345 (7)	C23—C25	1.520 (10)
N8—C3	1.443 (7)	C25—C26	1.526 (9)
N8—C9	1.336 (9)	C26—C27	1.512 (9)
N8—H8	0.8600	C26—C28	1.527 (11)
N28—C23	1.422 (8)	C31—C33	1.481 (12)
N28—C29	1.353 (9)	C31—C34	1.530 (9)
N28—H28	0.8600	C31—C32	1.495 (10)
C2—C3	1.499 (10)	C24—H24A	0.97
C3—C5	1.531 (10)	C24—H24B	0.97
C3—C4	1.560 (8)	C25—H25A	0.97
C5—C6	1.530 (9)	C25—H25B	0.97
C6—C8	1.524 (11)	C26—H26	0.98
C6—C7	1.504 (10)	C27—H27A	0.96
C11—C14	1.497 (9)	C27—H27B	0.96
C11—C13	1.508 (12)	C27—H27C	0.96
C11—C12	1.525 (10)	C28—H28A	0.96
C4—H4B	0.97	C28—H28B	0.96
C4—H4A	0.97	C28—H28C	0.96
C5—H5B	0.97	C32—H32A	0.96
C5—H5A	0.97	C32—H32B	0.96
C6—H6	0.98	C32—H32C	0.96
C7—H7A	0.96	C33—H33A	0.96
C7—H7C	0.96	C33—H33B	0.96
C7—H7B	0.96	C33—H33C	0.96
C8—H8B	0.96	C34—H34A	0.96
C8—H8C	0.96	C34—H34B	0.96
C8—H8A	0.96	C34—H34C	0.96
C2—O1—C4	92.1 (5)	H14A—C14—H14B	109
C9—O10—C11	122.9 (5)	C11—C14—H14A	109
C22—O21—C24	91.9 (4)	H14B—C14—H14C	110
C29—O30—C31	121.5 (4)	C11—C14—H14B	110
C3—N8—C9	125.5 (5)	C11—C14—H14C	109
C3—N8—H8	117	O21—C22—O22	125.3 (6)
C9—N8—H8	117	O22—C22—C23	139.1 (6)
C23—N28—C29	126.8 (5)	O21—C22—C23	95.6 (5)
C23—N28—H28	117	N28—C23—C24	116.9 (6)
C29—N28—H28	117	N28—C23—C22	118.4 (5)
O1—C2—C3	96.4 (7)	C22—C23—C25	114.2 (6)
O1—C2—O2	126.8 (7)	N28—C23—C25	111.0 (5)
O2—C2—C3	136.8 (8)	C22—C23—C24	81.9 (5)
N8—C3—C4	119.1 (5)	C24—C23—C25	111.6 (5)
C2—C3—C5	110.7 (5)	O21—C24—C23	89.3 (4)
N8—C3—C5	109.9 (5)	C23—C25—C26	118.8 (5)
N8—C3—C2	117.4 (6)	C25—C26—C28	109.3 (5)
C4—C3—C5	115.0 (6)	C25—C26—C27	114.1 (5)
C2—C3—C4	82.3 (5)	C27—C26—C28	110.6 (6)
O1—C4—C3	88.8 (5)	O29—C29—N28	124.3 (6)
C3—C5—C6	116.7 (5)	O29—C29—O30	125.2 (6)
C5—C6—C8	107.9 (6)	O30—C29—N28	110.5 (5)
C7—C6—C8	111.0 (6)	O30—C31—C33	110.2 (5)
C5—C6—C7	113.8 (5)	O30—C31—C34	101.3 (5)
O9—C9—O10	124.5 (6)	C32—C31—C34	110.5 (5)
O9—C9—N8	122.8 (6)	C33—C31—C34	110.5 (6)
O10—C9—N8	112.8 (5)	C32—C31—C33	114.9 (7)
C12—C11—C14	109.6 (5)	O30—C31—C32	108.6 (6)
O10—C11—C14	103.5 (5)	O21—C24—H24A	114
C12—C11—C13	112.7 (6)	O21—C24—H24B	114
C13—C11—C14	112.1 (7)	C23—C24—H24A	114
O10—C11—C13	110.6 (5)	C23—C24—H24B	114
O10—C11—C12	107.8 (6)	H24A—C24—H24B	111
C3—C4—H4A	114	C23—C25—H25A	108
C3—C4—H4B	114	C23—C25—H25B	108
O1—C4—H4B	114	C26—C25—H25A	108
O1—C4—H4A	114	C26—C25—H25B	108
H4A—C4—H4B	111	H25A—C25—H25B	107
H5A—C5—H5B	107	C25—C26—H26	107
C6—C5—H5B	108	C27—C26—H26	108
C3—C5—H5A	108	C28—C26—H26	108
C6—C5—H5A	108	C26—C27—H27A	110
C3—C5—H5B	108	C26—C27—H27B	109
C7—C6—H6	108	C26—C27—H27C	109
C8—C6—H6	108	H27A—C27—H27B	110
C5—C6—H6	108	H27A—C27—H27C	109
C6—C7—H7C	109	H27B—C27—H27C	109
C6—C7—H7A	110	C26—C28—H28A	109
H7A—C7—H7B	109	C26—C28—H28B	109
H7B—C7—H7C	109	C26—C28—H28C	109
H7A—C7—H7C	110	H28A—C28—H28B	109
C6—C7—H7B	109	H28A—C28—H28C	110
C6—C8—H8A	109	H28B—C28—H28C	109
C6—C8—H8B	109	C31—C32—H32A	109
H8B—C8—H8C	110	C31—C32—H32B	109
H8A—C8—H8B	109	C31—C32—H32C	109
C6—C8—H8C	109	H32A—C32—H32B	110
H8A—C8—H8C	109	H32A—C32—H32C	110
C11—C12—H12B	110	H32B—C32—H32C	109
C11—C12—H12C	110	C31—C33—H33A	110
C11—C12—H12A	109	C31—C33—H33B	109
H12A—C12—H12B	109	C31—C33—H33C	109
H12A—C12—H12C	109	H33A—C33—H33B	109
H12B—C12—H12C	109	H33A—C33—H33C	109
C11—C13—H13C	109	H33B—C33—H33C	109
H13A—C13—H13B	109	C31—C34—H34A	110
H13A—C13—H13C	109	C31—C34—H34B	109
C11—C13—H13B	109	C31—C34—H34C	109
H13B—C13—H13C	109	H34A—C34—H34B	109
C11—C13—H13A	109	H34A—C34—H34C	109
H14A—C14—H14C	109	H34B—C34—H34C	109
C4—O1—C2—O2	−176.6 (9)	O1—C2—C3—C5	109.5 (6)
C4—O1—C2—C3	4.7 (6)	O2—C2—C3—C5	−69.0 (12)
C2—O1—C4—C3	−4.5 (6)	O1—C2—C3—N8	−123.3 (6)
C11—O10—C9—O9	−8.8 (9)	O2—C2—C3—C4	177.1 (11)
C11—O10—C9—N8	172.5 (5)	O2—C2—C3—N8	58.2 (13)
C9—O10—C11—C12	−62.4 (7)	N8—C3—C5—C6	56.6 (7)
C9—O10—C11—C13	61.2 (8)	C4—C3—C5—C6	−81.1 (7)
C9—O10—C11—C14	−178.5 (5)	C2—C3—C5—C6	−172.2 (6)
C22—O21—C24—C23	−8.8 (5)	N8—C3—C4—O1	121.1 (6)
C24—O21—C22—O22	−172.7 (8)	C2—C3—C4—O1	4.0 (5)
C24—O21—C22—C23	9.1 (6)	C5—C3—C4—O1	−105.3 (6)
C31—O30—C29—O29	8.2 (9)	C3—C5—C6—C8	177.1 (6)
C31—O30—C29—N28	−170.7 (5)	C3—C5—C6—C7	53.4 (8)
C29—O30—C31—C32	61.1 (7)	O22—C22—C23—C24	173.7 (11)
C29—O30—C31—C33	−65.5 (7)	O22—C22—C23—C25	−76.2 (12)
C29—O30—C31—C34	177.5 (5)	O21—C22—C23—N28	−124.8 (6)
C9—N8—C3—C2	47.2 (8)	O21—C22—C23—C24	−8.6 (5)
C3—N8—C9—O9	−177.5 (5)	O21—C22—C23—C25	101.5 (6)
C3—N8—C9—O10	1.3 (8)	O22—C22—C23—N28	57.4 (14)
C9—N8—C3—C4	−49.5 (9)	N28—C23—C24—O21	125.8 (5)
C9—N8—C3—C5	174.8 (5)	N28—C23—C25—C26	−51.2 (7)
C29—N28—C23—C25	172.4 (5)	C22—C23—C25—C26	85.9 (7)
C23—N28—C29—O30	−0.8 (8)	C24—C23—C25—C26	176.6 (5)
C29—N28—C23—C24	−58.1 (7)	C25—C23—C24—O21	−105.0 (5)
C23—N28—C29—O29	−179.6 (6)	C22—C23—C24—O21	7.9 (5)
C29—N28—C23—C22	37.4 (9)	C23—C25—C26—C28	177.8 (6)
O1—C2—C3—C4	−4.4 (6)	C23—C25—C26—C27	−57.9 (8)

D—H···A	D—H	H···A	D···A	D—H···A
N8—H8···O29	0.86	2.12	2.937 (6)	158
N28—H28···O9	0.86	2.06	2.890 (6)	162
C12—H12C···O9	0.96	2.55	3.049 (9)	112
C13—H13A···O9	0.96	2.36	2.941 (11)	118
C27—H27C···O22	0.96	2.53	3.209 (9)	127
C32—H32C···O29	0.96	2.44	3.018 (9)	119

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N8—H8⋯O29	0.86	2.12	2.937 (6)	158
N28—H28⋯O9	0.86	2.06	2.890 (6)	162
C12—H12C⋯O9	0.96	2.55	3.049 (9)	112
C13—H13A⋯O9	0.96	2.36	2.941 (11)	118
C27—H27C⋯O22	0.96	2.53	3.209 (9)	127
C32—H32C⋯O29	0.96	2.44	3.018 (9)	119