(E)-N'-[(E)-2-Methyl-pent-2-enyl-idene]isonicotinohydrazide.

The asymmetric unit of the title Schiff base compound, C(12)H(15)N(3)O, contains two crystallographically independent mol-ecules, with both existing in an E configuration with respect to the C=N double bonds. In the crystal structure, inter-molecular N-H⋯N and C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network.

Related literature

For the applications of isoniazid derivatives, see: Janin (2007 ▶); Maccari et al. (2005 ▶); Slayden & Barry (2000 ▶). For the bio­logical activity of Schiff bases, see: Kahwa et al. (1986 ▶). For related structures, see: Naveenkumar et al. (2009 ▶); Naveenkumar, Sadikun, Ibrahim, Quah & Fun (2010 ▶); Naveenkumar, Sadikun, Ibrahim, Yeap & Fun (2010 ▶); Shi (2005 ▶). For bond-length data, see: Allen et al. (1987 ▶). For the stability of the temperature controller used for the data collection, see: Cosier & Glazer (1986 ▶). For the synthesis, see: Lourenco et al. (2008 ▶).

Experimental

Crystal data

C12H15N3O

M = 217.27

Monoclinic,

a = 19.809 (4) Å

b = 8.3459 (15) Å

c = 16.021 (3) Å

β = 119.825 (3)°

V = 2297.7 (7) Å3

Z = 8

Mo Kα radiation

μ = 0.08 mm−1

T = 100 K

0.54 × 0.20 × 0.10 mm

Data collection

Bruker APEXII DUO CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2009 ▶) T min = 0.957, T max = 0.992

12644 measured reflections

3396 independent reflections

2883 reflections with I > 2σ(I)

R int = 0.044

Refinement

R[F 2 > 2σ(F 2)] = 0.073

wR(F 2) = 0.225

S = 1.03

3396 reflections

301 parameters

2 restraints

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 1.15 e Å−3

Δρmin = −0.47 e Å−3

Data collection: APEX2 (Bruker, 2009 ▶); cell refinement: SAINT (Bruker, 2009 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL and PLATON (Spek, 2009 ▶).

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536810019434/is2553sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810019434/is2553Isup2.hkl

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

C12H15N3O	F(000) = 928
Mr = 217.27	Dx = 1.256 Mg m−3
Monoclinic, Cc	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: C -2yc	Cell parameters from 3734 reflections
a = 19.809 (4) Å	θ = 2.7–30.1°
b = 8.3459 (15) Å	µ = 0.08 mm−1
c = 16.021 (3) Å	T = 100 K
β = 119.825 (3)°	Plate, colourless
V = 2297.7 (7) Å3	0.54 × 0.20 × 0.10 mm
Z = 8

Bruker APEXII DUO CCD area-detector diffractometer	3396 independent reflections
Radiation source: fine-focus sealed tube	2883 reflections with I > 2σ(I)
graphite	Rint = 0.044
φ and ω scans	θmax = 30.2°, θmin = 2.4°
Absorption correction: multi-scan (SADABS; Bruker, 2009)	h = −28→27
Tmin = 0.957, Tmax = 0.992	k = −11→11
12644 measured reflections	l = −22→22

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)] = 0.073	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.225	H atoms treated by a mixture of independent and constrained refinement
S = 1.03	w = 1/[σ2(Fo2) + (0.158P)2 + 2.1081P] where P = (Fo2 + 2Fc2)/3
3396 reflections	(Δ/σ)max = 0.001
301 parameters	Δρmax = 1.15 e Å−3
2 restraints	Δρmin = −0.47 e Å−3

Experimental. The crystal was placed in the cold stream of an Oxford Cryosystems Cobra open-flow nitrogen cryostat (Cosier & Glazer, 1986) operating at 100.0 (1) K.

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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.

	x	y	z	Uiso*/Ueq
O1A	0.45226 (16)	0.4174 (4)	0.2514 (2)	0.0279 (6)
N1A	0.50282 (19)	0.5795 (5)	−0.0143 (2)	0.0270 (7)
N2A	0.33160 (18)	0.4903 (4)	0.1323 (2)	0.0222 (6)
N3A	0.29513 (18)	0.4476 (4)	0.1835 (2)	0.0222 (6)
C1A	0.3923 (2)	0.5171 (5)	0.0042 (2)	0.0228 (7)
H1AA	0.3391	0.4982	−0.0247	0.027*
C2A	0.4267 (2)	0.5523 (5)	−0.0517 (3)	0.0245 (7)
H2AA	0.3950	0.5570	−0.1182	0.029*
C3A	0.5470 (2)	0.5727 (6)	0.0815 (3)	0.0332 (9)
H3AA	0.6000	0.5926	0.1087	0.040*
C4A	0.5184 (2)	0.5376 (6)	0.1427 (3)	0.0307 (8)
H4AA	0.5516	0.5322	0.2089	0.037*
C5A	0.4391 (2)	0.5108 (5)	0.1032 (3)	0.0233 (7)
C6A	0.4089 (2)	0.4684 (5)	0.1703 (2)	0.0219 (7)
C7A	0.2215 (2)	0.4758 (4)	0.1376 (3)	0.0224 (6)
H7AA	0.1994	0.5197	0.0762	0.027*
C8A	0.1715 (2)	0.4418 (5)	0.1777 (3)	0.0256 (7)
C9A	0.0963 (3)	0.4814 (6)	0.1240 (3)	0.0356 (9)
H9AA	0.0812	0.5247	0.0638	0.043*
C10A	0.0337 (3)	0.4641 (7)	0.1499 (4)	0.0429 (11)
H10A	0.0568	0.4299	0.2164	0.052*
H10B	−0.0026	0.3818	0.1099	0.052*
C11A	−0.0096 (3)	0.6178 (7)	0.1369 (4)	0.0448 (12)
H11A	−0.0508	0.6005	0.1510	0.067*
H11B	−0.0311	0.6539	0.0717	0.067*
H11C	0.0254	0.6975	0.1798	0.067*
C12A	0.2060 (2)	0.3646 (6)	0.2752 (3)	0.0301 (8)
H12A	0.1734	0.2774	0.2727	0.045*
H12B	0.2096	0.4422	0.3214	0.045*
H12C	0.2570	0.3248	0.2936	0.045*
O1B	0.20324 (15)	0.6331 (3)	0.4358 (2)	0.0268 (6)
N1B	0.2523 (2)	1.2198 (4)	0.5118 (3)	0.0330 (8)
N2B	0.08523 (17)	0.7236 (4)	0.4095 (2)	0.0236 (6)
N3B	0.04966 (18)	0.5750 (4)	0.3851 (2)	0.0241 (6)
C1B	0.14199 (19)	1.0456 (5)	0.4260 (2)	0.0219 (7)
H1BA	0.0886	1.0349	0.3852	0.026*
C2B	0.1756 (2)	1.1958 (5)	0.4529 (3)	0.0256 (7)
H2BA	0.1434	1.2851	0.4291	0.031*
C3B	0.2969 (3)	1.0896 (6)	0.5452 (4)	0.0464 (13)
H3BA	0.3499	1.1039	0.5869	0.056*
C4B	0.2692 (2)	0.9350 (5)	0.5217 (4)	0.0392 (11)
H4BA	0.3030	0.8483	0.5459	0.047*
C5B	0.1895 (2)	0.9105 (4)	0.4610 (3)	0.0241 (7)
C6B	0.1606 (2)	0.7417 (4)	0.4338 (2)	0.0230 (7)
C7B	−0.0233 (2)	0.5835 (5)	0.3572 (3)	0.0286 (8)
H7BA	−0.0463	0.6834	0.3502	0.034*
C8B	−0.0706 (2)	0.4398 (5)	0.3366 (4)	0.0354 (10)
C9B	−0.1419 (3)	0.4525 (7)	0.3267 (5)	0.0529 (15)
H9BA	−0.1580	0.5559	0.3297	0.063*
C10B	−0.1989 (3)	0.3214 (7)	0.3113 (5)	0.0497 (13)
H10C	−0.1876	0.2290	0.2836	0.060*
H10D	−0.1926	0.2896	0.3730	0.060*
C11B	−0.2777 (4)	0.3700 (8)	0.2492 (8)	0.072 (2)
H11D	−0.3123	0.2879	0.2476	0.108*
H11E	−0.2861	0.3870	0.1855	0.108*
H11F	−0.2876	0.4677	0.2729	0.108*
C12B	−0.0352 (3)	0.2825 (5)	0.3361 (4)	0.0387 (10)
H12D	−0.0744	0.2008	0.3132	0.058*
H12E	0.0050	0.2568	0.4002	0.058*
H12F	−0.0132	0.2886	0.2946	0.058*
H1NB	0.059 (3)	0.808 (7)	0.421 (4)	0.023 (11)*
H1NA	0.306 (3)	0.543 (7)	0.082 (4)	0.028 (13)*

	U11	U22	U33	U12	U13	U23
O1A	0.0188 (12)	0.0390 (16)	0.0207 (12)	0.0013 (11)	0.0059 (10)	0.0045 (11)
N1A	0.0189 (14)	0.0374 (18)	0.0235 (15)	−0.0008 (12)	0.0098 (12)	0.0006 (13)
N2A	0.0157 (13)	0.0295 (15)	0.0201 (14)	0.0012 (11)	0.0079 (11)	0.0049 (12)
N3A	0.0198 (14)	0.0243 (14)	0.0219 (13)	−0.0011 (11)	0.0099 (11)	0.0020 (11)
C1A	0.0157 (14)	0.0303 (17)	0.0187 (15)	−0.0021 (12)	0.0056 (12)	−0.0013 (13)
C2A	0.0175 (15)	0.0339 (19)	0.0173 (14)	0.0015 (13)	0.0051 (12)	0.0014 (13)
C3A	0.0150 (15)	0.055 (3)	0.0224 (17)	−0.0095 (16)	0.0041 (13)	0.0000 (17)
C4A	0.0162 (16)	0.048 (2)	0.0202 (16)	−0.0066 (15)	0.0030 (13)	0.0004 (15)
C5A	0.0122 (14)	0.0301 (17)	0.0211 (15)	−0.0009 (12)	0.0034 (12)	0.0021 (13)
C6A	0.0161 (14)	0.0251 (16)	0.0195 (15)	−0.0022 (12)	0.0051 (12)	−0.0028 (12)
C7A	0.0184 (15)	0.0255 (16)	0.0196 (14)	0.0002 (12)	0.0067 (12)	0.0020 (13)
C8A	0.0186 (16)	0.0363 (19)	0.0204 (16)	0.0034 (14)	0.0087 (13)	0.0004 (14)
C9A	0.0235 (19)	0.052 (3)	0.0292 (19)	0.0060 (18)	0.0117 (16)	0.0065 (19)
C10A	0.030 (2)	0.050 (3)	0.052 (3)	0.006 (2)	0.024 (2)	0.008 (2)
C11A	0.038 (3)	0.050 (3)	0.052 (3)	0.009 (2)	0.026 (2)	0.005 (2)
C12A	0.0236 (17)	0.040 (2)	0.0255 (17)	0.0012 (15)	0.0113 (14)	0.0032 (16)
O1B	0.0165 (11)	0.0251 (12)	0.0306 (13)	0.0023 (9)	0.0056 (10)	−0.0032 (11)
N1B	0.0257 (16)	0.0244 (15)	0.0346 (17)	−0.0034 (13)	0.0042 (14)	−0.0038 (14)
N2B	0.0130 (12)	0.0264 (15)	0.0249 (14)	−0.0001 (11)	0.0046 (11)	−0.0037 (12)
N3B	0.0202 (14)	0.0238 (14)	0.0230 (14)	−0.0024 (11)	0.0066 (12)	−0.0003 (11)
C1B	0.0153 (14)	0.0267 (17)	0.0189 (14)	0.0028 (12)	0.0049 (12)	0.0007 (12)
C2B	0.0231 (16)	0.0265 (17)	0.0236 (15)	0.0000 (13)	0.0088 (13)	−0.0017 (13)
C3B	0.0202 (18)	0.031 (2)	0.055 (3)	−0.0013 (16)	−0.0055 (18)	−0.008 (2)
C4B	0.0148 (16)	0.0258 (18)	0.050 (3)	0.0010 (13)	−0.0046 (16)	−0.0063 (17)
C5B	0.0164 (14)	0.0235 (16)	0.0236 (16)	0.0006 (12)	0.0034 (13)	−0.0033 (13)
C6B	0.0181 (15)	0.0240 (16)	0.0200 (14)	−0.0001 (12)	0.0043 (12)	−0.0018 (12)
C7B	0.0191 (15)	0.0243 (17)	0.0342 (19)	−0.0018 (13)	0.0071 (14)	−0.0075 (15)
C8B	0.0235 (18)	0.0281 (19)	0.050 (3)	−0.0089 (15)	0.0144 (18)	−0.0160 (18)
C9B	0.032 (2)	0.040 (3)	0.081 (4)	−0.010 (2)	0.023 (3)	−0.021 (3)
C10B	0.041 (3)	0.041 (3)	0.064 (3)	−0.006 (2)	0.023 (3)	−0.006 (2)
C11B	0.055 (4)	0.044 (3)	0.137 (8)	−0.010 (3)	0.063 (5)	−0.020 (4)
C12B	0.036 (2)	0.0262 (19)	0.063 (3)	−0.0065 (16)	0.032 (2)	−0.0093 (19)

O1A—C6A	1.223 (5)	O1B—C6B	1.228 (5)
N1A—C2A	1.337 (5)	N1B—C3B	1.333 (6)
N1A—C3A	1.338 (5)	N1B—C2B	1.346 (5)
N2A—C6A	1.350 (4)	N2B—C6B	1.350 (4)
N2A—N3A	1.382 (4)	N2B—N3B	1.383 (4)
N2A—H1NA	0.83 (6)	N2B—H1NB	0.94 (6)
N3A—C7A	1.287 (5)	N3B—C7B	1.284 (5)
C1A—C5A	1.384 (5)	C1B—C2B	1.384 (5)
C1A—C2A	1.399 (5)	C1B—C5B	1.395 (5)
C1A—H1AA	0.9300	C1B—H1BA	0.9300
C2A—H2AA	0.9300	C2B—H2BA	0.9300
C3A—C4A	1.385 (6)	C3B—C4B	1.379 (6)
C3A—H3AA	0.9300	C3B—H3BA	0.9300
C4A—C5A	1.389 (5)	C4B—C5B	1.397 (5)
C4A—H4AA	0.9300	C4B—H4BA	0.9300
C5A—C6A	1.510 (5)	C5B—C6B	1.502 (5)
C7A—C8A	1.451 (5)	C7B—C8B	1.456 (6)
C7A—H7AA	0.9300	C7B—H7BA	0.9300
C8A—C9A	1.340 (5)	C8B—C9B	1.344 (7)
C8A—C12A	1.503 (5)	C8B—C12B	1.490 (6)
C9A—C10A	1.496 (6)	C9B—C10B	1.502 (8)
C9A—H9AA	0.9300	C9B—H9BA	0.9300
C10A—C11A	1.499 (8)	C10B—C11B	1.431 (10)
C10A—H10A	0.9700	C10B—H10C	0.9700
C10A—H10B	0.9700	C10B—H10D	0.9700
C11A—H11A	0.9600	C11B—H11D	0.9600
C11A—H11B	0.9600	C11B—H11E	0.9600
C11A—H11C	0.9600	C11B—H11F	0.9600
C12A—H12A	0.9600	C12B—H12D	0.9600
C12A—H12B	0.9600	C12B—H12E	0.9600
C12A—H12C	0.9600	C12B—H12F	0.9600
C2A—N1A—C3A	117.0 (3)	C3B—N1B—C2B	116.8 (4)
C6A—N2A—N3A	120.5 (3)	C6B—N2B—N3B	121.1 (3)
C6A—N2A—H1NA	121 (4)	C6B—N2B—H1NB	119 (3)
N3A—N2A—H1NA	117 (4)	N3B—N2B—H1NB	119 (3)
C7A—N3A—N2A	113.0 (3)	C7B—N3B—N2B	112.1 (3)
C5A—C1A—C2A	118.6 (3)	C2B—C1B—C5B	118.9 (3)
C5A—C1A—H1AA	120.7	C2B—C1B—H1BA	120.6
C2A—C1A—H1AA	120.7	C5B—C1B—H1BA	120.6
N1A—C2A—C1A	123.3 (3)	N1B—C2B—C1B	123.6 (4)
N1A—C2A—H2AA	118.3	N1B—C2B—H2BA	118.2
C1A—C2A—H2AA	118.3	C1B—C2B—H2BA	118.2
N1A—C3A—C4A	123.9 (4)	N1B—C3B—C4B	124.0 (4)
N1A—C3A—H3AA	118.1	N1B—C3B—H3BA	118.0
C4A—C3A—H3AA	118.1	C4B—C3B—H3BA	118.0
C3A—C4A—C5A	118.6 (4)	C3B—C4B—C5B	119.0 (4)
C3A—C4A—H4AA	120.7	C3B—C4B—H4BA	120.5
C5A—C4A—H4AA	120.7	C5B—C4B—H4BA	120.5
C1A—C5A—C4A	118.5 (3)	C1B—C5B—C4B	117.7 (3)
C1A—C5A—C6A	123.3 (3)	C1B—C5B—C6B	123.9 (3)
C4A—C5A—C6A	118.1 (3)	C4B—C5B—C6B	118.4 (3)
O1A—C6A—N2A	124.5 (3)	O1B—C6B—N2B	125.0 (3)
O1A—C6A—C5A	121.4 (3)	O1B—C6B—C5B	121.7 (3)
N2A—C6A—C5A	114.2 (3)	N2B—C6B—C5B	113.3 (3)
N3A—C7A—C8A	122.7 (3)	N3B—C7B—C8B	121.3 (4)
N3A—C7A—H7AA	118.7	N3B—C7B—H7BA	119.4
C8A—C7A—H7AA	118.7	C8B—C7B—H7BA	119.4
C9A—C8A—C7A	117.0 (4)	C9B—C8B—C7B	118.8 (4)
C9A—C8A—C12A	123.9 (4)	C9B—C8B—C12B	122.6 (4)
C7A—C8A—C12A	119.1 (3)	C7B—C8B—C12B	118.4 (4)
C8A—C9A—C10A	127.5 (4)	C8B—C9B—C10B	128.5 (5)
C8A—C9A—H9AA	116.3	C8B—C9B—H9BA	115.8
C10A—C9A—H9AA	116.3	C10B—C9B—H9BA	115.8
C9A—C10A—C11A	112.0 (5)	C11B—C10B—C9B	112.3 (6)
C9A—C10A—H10A	109.2	C11B—C10B—H10C	109.1
C11A—C10A—H10A	109.2	C9B—C10B—H10C	109.1
C9A—C10A—H10B	109.2	C11B—C10B—H10D	109.1
C11A—C10A—H10B	109.2	C9B—C10B—H10D	109.1
H10A—C10A—H10B	107.9	H10C—C10B—H10D	107.9
C10A—C11A—H11A	109.5	C10B—C11B—H11D	109.5
C10A—C11A—H11B	109.5	C10B—C11B—H11E	109.5
H11A—C11A—H11B	109.5	H11D—C11B—H11E	109.5
C10A—C11A—H11C	109.5	C10B—C11B—H11F	109.5
H11A—C11A—H11C	109.5	H11D—C11B—H11F	109.5
H11B—C11A—H11C	109.5	H11E—C11B—H11F	109.5
C8A—C12A—H12A	109.5	C8B—C12B—H12D	109.5
C8A—C12A—H12B	109.5	C8B—C12B—H12E	109.5
H12A—C12A—H12B	109.5	H12D—C12B—H12E	109.5
C8A—C12A—H12C	109.5	C8B—C12B—H12F	109.5
H12A—C12A—H12C	109.5	H12D—C12B—H12F	109.5
H12B—C12A—H12C	109.5	H12E—C12B—H12F	109.5
C6A—N2A—N3A—C7A	−179.9 (3)	C6B—N2B—N3B—C7B	−175.0 (4)
C3A—N1A—C2A—C1A	−0.3 (6)	C3B—N1B—C2B—C1B	−0.3 (7)
C5A—C1A—C2A—N1A	0.4 (6)	C5B—C1B—C2B—N1B	−0.2 (6)
C2A—N1A—C3A—C4A	0.7 (7)	C2B—N1B—C3B—C4B	1.1 (9)
N1A—C3A—C4A—C5A	−1.3 (8)	N1B—C3B—C4B—C5B	−1.5 (10)
C2A—C1A—C5A—C4A	−0.9 (6)	C2B—C1B—C5B—C4B	−0.2 (6)
C2A—C1A—C5A—C6A	−177.8 (3)	C2B—C1B—C5B—C6B	−177.4 (4)
C3A—C4A—C5A—C1A	1.3 (7)	C3B—C4B—C5B—C1B	0.9 (8)
C3A—C4A—C5A—C6A	178.4 (4)	C3B—C4B—C5B—C6B	178.3 (5)
N3A—N2A—C6A—O1A	−3.1 (6)	N3B—N2B—C6B—O1B	0.6 (6)
N3A—N2A—C6A—C5A	176.2 (3)	N3B—N2B—C6B—C5B	−178.2 (3)
C1A—C5A—C6A—O1A	157.8 (4)	C1B—C5B—C6B—O1B	153.4 (4)
C4A—C5A—C6A—O1A	−19.2 (6)	C4B—C5B—C6B—O1B	−23.8 (6)
C1A—C5A—C6A—N2A	−21.5 (5)	C1B—C5B—C6B—N2B	−27.8 (5)
C4A—C5A—C6A—N2A	161.5 (4)	C4B—C5B—C6B—N2B	155.0 (4)
N2A—N3A—C7A—C8A	−179.5 (4)	N2B—N3B—C7B—C8B	−174.3 (4)
N3A—C7A—C8A—C9A	177.8 (4)	N3B—C7B—C8B—C9B	166.8 (6)
N3A—C7A—C8A—C12A	−2.5 (6)	N3B—C7B—C8B—C12B	−7.8 (7)
C7A—C8A—C9A—C10A	−177.9 (5)	C7B—C8B—C9B—C10B	−176.0 (6)
C12A—C8A—C9A—C10A	2.4 (8)	C12B—C8B—C9B—C10B	−1.7 (11)
C8A—C9A—C10A—C11A	127.7 (6)	C8B—C9B—C10B—C11B	−144.2 (8)

D—H···A	D—H	H···A	D···A	D—H···A
N2B—H1NB···N1Ai	0.95 (6)	2.08 (6)	2.973 (5)	156 (5)
N2A—H1NA···N1Bii	0.83 (6)	2.26 (6)	3.005 (5)	148 (5)
C7B—H7BA···O1Aiii	0.93	2.51	3.171 (5)	129
C12A—H12B···O1B	0.96	2.48	3.433 (5)	173

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N2B—H1NB⋯N1Ai	0.95 (6)	2.08 (6)	2.973 (5)	156 (5)
N2A—H1NA⋯N1Bii	0.83 (6)	2.26 (6)	3.005 (5)	148 (5)
C7B—H7BA⋯O1Aiii	0.93	2.51	3.171 (5)	129
C12A—H12B⋯O1B	0.96	2.48	3.433 (5)	173

Symmetry codes: (i) ; (ii) ; (iii) .