2-Benzyl-6-benz­yloxypyridazin-3(2H)-one

Ju, Z.-Y.; Jiang, W.-X.; Yang, F.-L.

doi:10.1107/S1600536811011597

organic compounds

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ISSN: 2056-9890

Volume 67| Part 5| May 2011| Page o1042

doi:10.1107/S1600536811011597

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2-Benzyl-6-benzyloxypyridazin-3(2H)-one

Zhi-Yu Ju,^a Wan-Xiang Jiang ^b and Feng-Ling Yang ^a ^*

^aCollege of Chemistry and Chemical Engineering, Xuchang University, Xuchang, Henan Province, 461000, People's Republic of China, and ^bDepartment of Electromechanical Engineering, Xuchang Institute of Technology, Xuchang, Henan Province, 461000, People's Republic of China
^*Correspondence e-mail: 374107445@qq.com

(Received 4 March 2011; accepted 29 March 2011; online 7 April 2011)

In the title compound, C₁₈H₁₆N₂O₂, the central pyridazine ring forms dihedral angles of 77.08 (5)° and 84.62 (5)° with the two benzene rings. The dihedral angle between the two benzene rings is 68.18 (4)°. A very weak intramolecular C—H⋯N hydrogen bond and an intramolecular C—H⋯π interaction occur. The crystal structure is stabilized by weak intermolecular C—H⋯O hydrogen bonds and weak C—H⋯π and π–π stacking interactions [centroid–centroid distance = 3.6867 (10) Å].

Related literature

For applications of pyridazinone analogues as highly selective anti-HIV agents, see: Loksha et al. (2007 ). For applications as pesticide agents, see: Li et al. (2005 ); Selby et al. (2002 ). For applications as herbicides, see: Xu et al. (2006 ). For related structures, see: Liu et al. (2005 ).

Experimental

Crystal data

C₁₈H₁₆N₂O₂
M_r = 292.33
Monoclinic, C 2/c
a = 32.741 (4) Å
b = 10.9198 (14) Å
c = 8.1228 (10) Å
β = 95.92 (2)°
V = 2888.6 (6) Å³
Z = 8
Mo Kα radiation
μ = 0.09 mm⁻¹
T = 113 K
0.20 × 0.18 × 0.12 mm

Data collection

Rigaku Saturn CCD area-detector diffractometer
Absorption correction: multi-scan (CrystalClear; Rigaku/MSC, 2009 ) T_min = 0.982, T_max = 0.989
18031 measured reflections
3448 independent reflections
2142 reflections with I > 2σ(I)
R_int = 0.063

Refinement

R[F² > 2σ(F²)] = 0.047
wR(F²) = 0.116
S = 0.95
3448 reflections
199 parameters
H-atom parameters constrained
Δρ_max = 0.23 e Å⁻³
Δρ_min = −0.23 e Å⁻³

Table 1
Hydrogen-bond geometry (Å, °)

Cg3 is the centroid of the C13–C18 ring.

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
C2—H2⋯O1ⁱ	0.95	2.38	3.2906 (19)	161 (19)
C11—H11⋯N2	0.95	2.49	3.126 (2)	124
C11—H11⋯Cg3	0.95	2.98	3.7103 (17)	135
C17—H17⋯Cg3ⁱⁱ	0.95	2.98	3.6991 (17)	133
Symmetry codes: (i) $[-x+{\script{1\over 2}}, -y+{\script{1\over 2}}, -z]$ ; (ii) $[x, -y+1, z-{\script{1\over 2}}]$ .

Data collection: CrystalClear (Rigaku/MSC, 2009); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: CrystalStructure (Rigaku/MSC, 2009); software used to prepare material for publication: CrystalStructure.

Supporting information

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536811011597/fj2404sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536811011597/fj2404Isup2.hkl

checkCIF report

Comment top

Pyridazinone analogues have been reported to have a variety of biological activities, such as highly-selective anti-HIV agents (Loksha et al., 2007), pesticide(Li et al., 2005), highly herbicidal activity (Xu et al., 2006). In order to discover further biologically active Pyridazinone analogues, the title compound, (I), was synthesized and its crystal structure determined (Fig. 1).

In a continuation of our studies on the crystal structures of Pyridazinone analogues (Liu et al., 2005), we report here the synthesis and crystal structure of the title molecule, the central pyridazine ring forms dihedral angles of 77.08 (5)° and 84.62 (5)° with the two benzene rings, The dihedral angle between two benzene rings is 68.18 (4)°. The Crystal structure is stabilized by a weak intramolecular C—H···N hydrogen bond (Table 1), a weak intermolecular C—H···O hydrogen bond (Table 1), C—H···Cg π—ring (Table 1) and π-π stacking interactions where Cg(1)—Cg(1) (1/2 - x, 1/2 - y, 1 - z) is 3.6867 (10) Å [Cg(1) is the centroid of the N1,N2, C1—C4 ring] (Table 2).

Related literature top

For applications of pyridazinone analogues as highly selective anti-HIV agents, see: Loksha et al. (2007). For applications as pesticide agents, see: Li et al. (2005); Selby et al. (2002). For applications as herbicides, see: Xu et al. (2006). For related structures, see: Liu et al. (2005).

Experimental top

Maleic hydrazide(0.56 g, 5 mmol), Benzyl chloride(1.52 g, 12 mmol) and K₂CO₃ (1.66 g, 12 mmol) were added to absolute ethanol(30 ml). The mixture was stirred in the room temperature for 6 h. The suspension was filtered and the residue was washed with absolute ethanol. The title compound was recrystallized from the mother solution and single crystals of (I) were obtained by slow evaporation.

Computing details top

Data collection: CrystalClear (Rigaku/MSC, 2009); cell refinement: CrystalClear (Rigaku/MSC, 2009); data reduction: CrystalClear (Rigaku/MSC, 2009); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: CrystalStructure (Rigaku/MSC, 2009); software used to prepare material for publication: CrystalStructure (Rigaku/MSC, 2009).

Figures top

Fig. 1. The asymmetric unit of the title compound, (I), with displacement ellipsoids drawn at the 30% probability level.

2-Benzyl-6-benzyloxypyridazin-3(2H)-one top

Crystal data top

C₁₈H₁₆N₂O₂	F(000) = 1232
M_r = 292.33	D_x = 1.344 Mg m⁻³
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 4881 reflections
a = 32.741 (4) Å	θ = 1.3–28.0°
b = 10.9198 (14) Å	µ = 0.09 mm⁻¹
c = 8.1228 (10) Å	T = 113 K
β = 95.92 (2)°	Prism, colorless
V = 2888.6 (6) Å³	0.20 × 0.18 × 0.12 mm
Z = 8

Data collection top

Rigaku Saturn CCD area-detector diffractometer	3448 independent reflections
Radiation source: rotating anode	2142 reflections with I > 2σ(I)
Multilayer monochromator	R_int = 0.063
Detector resolution: 14.63 pixels mm^-1	θ_max = 27.9°, θ_min = 1.3°
ω and ϕ scans	h = −43→41
Absorption correction: multi-scan CrystalClear	k = −14→14
T_min = 0.982, T_max = 0.989	l = −10→10
18031 measured reflections

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)] = 0.047	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.116	H-atom parameters constrained
S = 0.95	w = 1/[σ²(F_o²) + (0.0548P)²] where P = (F_o² + 2F_c²)/3
3448 reflections	(Δ/σ)_max < 0.001
199 parameters	Δρ_max = 0.23 e Å⁻³
0 restraints	Δρ_min = −0.23 e Å⁻³

Crystal data top

C₁₈H₁₆N₂O₂	V = 2888.6 (6) Å³
M_r = 292.33	Z = 8
Monoclinic, C2/c	Mo Kα radiation
a = 32.741 (4) Å	µ = 0.09 mm⁻¹
b = 10.9198 (14) Å	T = 113 K
c = 8.1228 (10) Å	0.20 × 0.18 × 0.12 mm
β = 95.92 (2)°

Data collection top

Rigaku Saturn CCD area-detector diffractometer	3448 independent reflections
Absorption correction: multi-scan CrystalClear	2142 reflections with I > 2σ(I)
T_min = 0.982, T_max = 0.989	R_int = 0.063
18031 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.047	0 restraints
wR(F²) = 0.116	H-atom parameters constrained
S = 0.95	Δρ_max = 0.23 e Å⁻³
3448 reflections	Δρ_min = −0.23 e Å⁻³
199 parameters

Special details top

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 (Å²) top

	x	y	z	U_iso*/U_eq
O1	0.20711 (3)	0.14159 (10)	0.06099 (12)	0.0315 (3)
O2	0.20245 (3)	0.38939 (9)	0.62925 (12)	0.0282 (3)
N1	0.18498 (4)	0.16470 (11)	0.31678 (14)	0.0221 (3)
N2	0.18241 (4)	0.22441 (11)	0.46481 (14)	0.0229 (3)
C1	0.20713 (5)	0.20250 (14)	0.19094 (18)	0.0241 (3)
C2	0.22975 (5)	0.31536 (14)	0.22369 (18)	0.0257 (4)
H2	0.2460	0.3470	0.1432	0.031*
C3	0.22792 (5)	0.37578 (14)	0.36727 (18)	0.0253 (4)
H3	0.2427	0.4499	0.3894	0.030*
C4	0.20319 (5)	0.32523 (14)	0.48542 (17)	0.0231 (3)
C5	0.15786 (4)	0.05874 (13)	0.29089 (17)	0.0232 (3)
H5A	0.1559	0.0173	0.3982	0.028*
H5B	0.1698	0.0000	0.2164	0.028*
C6	0.11536 (5)	0.09390 (13)	0.21683 (17)	0.0222 (3)
C7	0.09415 (5)	0.01638 (14)	0.10195 (17)	0.0257 (4)
H7	0.1068	−0.0570	0.0701	0.031*
C8	0.05468 (5)	0.04490 (15)	0.03337 (18)	0.0298 (4)
H8	0.0406	−0.0082	−0.0461	0.036*
C9	0.03585 (5)	0.15088 (15)	0.08102 (19)	0.0304 (4)
H9	0.0088	0.1706	0.0347	0.036*
C10	0.05657 (5)	0.22800 (14)	0.19643 (19)	0.0289 (4)
H10	0.0436	0.3004	0.2299	0.035*
C11	0.09614 (5)	0.20016 (14)	0.26341 (18)	0.0261 (4)
H11	0.1102	0.2540	0.3417	0.031*
C12	0.17631 (5)	0.34314 (15)	0.74918 (18)	0.0281 (4)
H12A	0.1835	0.3852	0.8562	0.034*
H12B	0.1818	0.2546	0.7665	0.034*
C13	0.13136 (5)	0.36113 (13)	0.69709 (17)	0.0246 (4)
C14	0.10296 (5)	0.28071 (14)	0.75401 (18)	0.0274 (4)
H14	0.1122	0.2156	0.8260	0.033*
C15	0.06137 (5)	0.29469 (14)	0.70671 (19)	0.0301 (4)
H15	0.0422	0.2389	0.7454	0.036*
C16	0.04764 (5)	0.39007 (14)	0.60290 (19)	0.0317 (4)
H16	0.0191	0.3996	0.5698	0.038*
C17	0.07560 (5)	0.47139 (15)	0.54761 (19)	0.0317 (4)
H17	0.0663	0.5371	0.4768	0.038*
C18	0.11706 (5)	0.45739 (14)	0.59503 (18)	0.0293 (4)
H18	0.1360	0.5142	0.5575	0.035*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
O1	0.0356 (7)	0.0367 (7)	0.0229 (6)	−0.0022 (5)	0.0066 (5)	−0.0036 (5)
O2	0.0292 (6)	0.0304 (6)	0.0252 (6)	−0.0038 (5)	0.0037 (5)	−0.0070 (5)
N1	0.0246 (7)	0.0239 (7)	0.0177 (6)	−0.0016 (5)	0.0020 (5)	−0.0007 (5)
N2	0.0239 (7)	0.0255 (7)	0.0191 (6)	0.0017 (5)	0.0009 (5)	−0.0020 (5)
C1	0.0244 (8)	0.0282 (9)	0.0194 (7)	0.0034 (6)	0.0016 (6)	0.0022 (6)
C2	0.0243 (8)	0.0280 (9)	0.0247 (8)	−0.0005 (7)	0.0026 (6)	0.0038 (7)
C3	0.0223 (8)	0.0243 (8)	0.0288 (8)	−0.0007 (6)	0.0003 (7)	0.0015 (7)
C4	0.0221 (8)	0.0253 (8)	0.0213 (8)	0.0022 (6)	−0.0008 (6)	−0.0018 (6)
C5	0.0266 (8)	0.0211 (8)	0.0220 (7)	−0.0021 (6)	0.0029 (6)	−0.0001 (6)
C6	0.0248 (8)	0.0228 (8)	0.0193 (7)	−0.0019 (6)	0.0032 (6)	0.0028 (6)
C7	0.0300 (9)	0.0251 (8)	0.0225 (8)	−0.0044 (7)	0.0059 (7)	−0.0006 (6)
C8	0.0301 (9)	0.0333 (9)	0.0256 (8)	−0.0082 (7)	0.0006 (7)	−0.0015 (7)
C9	0.0274 (9)	0.0332 (9)	0.0298 (9)	−0.0029 (7)	−0.0008 (7)	0.0063 (7)
C10	0.0304 (9)	0.0259 (9)	0.0304 (9)	0.0019 (7)	0.0028 (7)	0.0021 (7)
C11	0.0283 (8)	0.0245 (8)	0.0247 (8)	−0.0005 (7)	−0.0011 (6)	−0.0018 (7)
C12	0.0322 (9)	0.0329 (9)	0.0194 (8)	−0.0013 (7)	0.0034 (7)	−0.0020 (7)
C13	0.0336 (9)	0.0216 (8)	0.0190 (7)	0.0002 (7)	0.0047 (6)	−0.0041 (6)
C14	0.0357 (9)	0.0240 (8)	0.0222 (8)	0.0001 (7)	0.0023 (7)	0.0001 (6)
C15	0.0327 (9)	0.0292 (9)	0.0289 (8)	−0.0041 (7)	0.0057 (7)	−0.0016 (7)
C16	0.0314 (9)	0.0340 (10)	0.0294 (9)	0.0024 (7)	0.0020 (7)	−0.0030 (7)
C17	0.0385 (10)	0.0275 (9)	0.0293 (9)	0.0056 (7)	0.0036 (7)	0.0030 (7)
C18	0.0345 (9)	0.0259 (9)	0.0283 (8)	−0.0012 (7)	0.0071 (7)	0.0034 (7)

Geometric parameters (Å, º) top

O1—C1	1.2476 (17)	C8—H8	0.9500
O2—C4	1.3647 (17)	C9—C10	1.385 (2)
O2—C12	1.4522 (18)	C9—H9	0.9500
N1—C1	1.3763 (19)	C10—C11	1.386 (2)
N1—N2	1.3780 (15)	C10—H10	0.9500
N1—C5	1.4605 (18)	C11—H11	0.9500
N2—C4	1.2959 (18)	C12—C13	1.502 (2)
C1—C2	1.448 (2)	C12—H12A	0.9900
C2—C3	1.347 (2)	C12—H12B	0.9900
C2—H2	0.9500	C13—C18	1.390 (2)
C3—C4	1.429 (2)	C13—C14	1.392 (2)
C3—H3	0.9500	C14—C15	1.385 (2)
C5—C6	1.507 (2)	C14—H14	0.9500
C5—H5A	0.9900	C15—C16	1.385 (2)
C5—H5B	0.9900	C15—H15	0.9500
C6—C11	1.391 (2)	C16—C17	1.383 (2)
C6—C7	1.392 (2)	C16—H16	0.9500
C7—C8	1.389 (2)	C17—C18	1.381 (2)
C7—H7	0.9500	C17—H17	0.9500
C8—C9	1.385 (2)	C18—H18	0.9500

C4—O2—C12	117.36 (12)	C10—C9—H9	120.1
C1—N1—N2	126.19 (12)	C8—C9—H9	120.1
C1—N1—C5	119.33 (12)	C9—C10—C11	120.34 (15)
N2—N1—C5	114.18 (11)	C9—C10—H10	119.8
C4—N2—N1	115.86 (12)	C11—C10—H10	119.8
O1—C1—N1	120.95 (14)	C10—C11—C6	120.47 (15)
O1—C1—C2	124.38 (14)	C10—C11—H11	119.8
N1—C1—C2	114.67 (13)	C6—C11—H11	119.8
C3—C2—C1	120.56 (14)	O2—C12—C13	113.20 (12)
C3—C2—H2	119.7	O2—C12—H12A	108.9
C1—C2—H2	119.7	C13—C12—H12A	108.9
C2—C3—C4	118.12 (14)	O2—C12—H12B	108.9
C2—C3—H3	120.9	C13—C12—H12B	108.9
C4—C3—H3	120.9	H12A—C12—H12B	107.8
N2—C4—O2	119.42 (13)	C18—C13—C14	118.68 (15)
N2—C4—C3	124.59 (13)	C18—C13—C12	121.80 (14)
O2—C4—C3	115.98 (13)	C14—C13—C12	119.51 (14)
N1—C5—C6	112.22 (12)	C15—C14—C13	120.64 (15)
N1—C5—H5A	109.2	C15—C14—H14	119.7
C6—C5—H5A	109.2	C13—C14—H14	119.7
N1—C5—H5B	109.2	C14—C15—C16	119.97 (16)
C6—C5—H5B	109.2	C14—C15—H15	120.0
H5A—C5—H5B	107.9	C16—C15—H15	120.0
C11—C6—C7	118.77 (14)	C17—C16—C15	119.76 (16)
C11—C6—C5	121.93 (14)	C17—C16—H16	120.1
C7—C6—C5	119.28 (14)	C15—C16—H16	120.1
C8—C7—C6	120.80 (15)	C18—C17—C16	120.19 (15)
C8—C7—H7	119.6	C18—C17—H17	119.9
C6—C7—H7	119.6	C16—C17—H17	119.9
C9—C8—C7	119.86 (15)	C17—C18—C13	120.74 (15)
C9—C8—H8	120.1	C17—C18—H18	119.6
C7—C8—H8	120.1	C13—C18—H18	119.6
C10—C9—C8	119.75 (15)

C1—N1—N2—C4	−0.3 (2)	C11—C6—C7—C8	0.7 (2)
C5—N1—N2—C4	−173.91 (12)	C5—C6—C7—C8	178.90 (13)
N2—N1—C1—O1	−179.53 (13)	C6—C7—C8—C9	−0.9 (2)
C5—N1—C1—O1	−6.3 (2)	C7—C8—C9—C10	0.2 (2)
N2—N1—C1—C2	0.8 (2)	C8—C9—C10—C11	0.5 (2)
C5—N1—C1—C2	174.04 (12)	C9—C10—C11—C6	−0.6 (2)
O1—C1—C2—C3	179.70 (14)	C7—C6—C11—C10	0.0 (2)
N1—C1—C2—C3	−0.6 (2)	C5—C6—C11—C10	−178.11 (14)
C1—C2—C3—C4	0.1 (2)	C4—O2—C12—C13	−72.05 (17)
N1—N2—C4—O2	−179.59 (11)	O2—C12—C13—C18	−28.7 (2)
N1—N2—C4—C3	−0.3 (2)	O2—C12—C13—C14	152.30 (13)
C12—O2—C4—N2	−3.1 (2)	C18—C13—C14—C15	1.5 (2)
C12—O2—C4—C3	177.58 (12)	C12—C13—C14—C15	−179.46 (14)
C2—C3—C4—N2	0.4 (2)	C13—C14—C15—C16	−0.6 (2)
C2—C3—C4—O2	179.72 (13)	C14—C15—C16—C17	−0.3 (2)
C1—N1—C5—C6	−88.39 (16)	C15—C16—C17—C18	0.3 (2)
N2—N1—C5—C6	85.65 (14)	C16—C17—C18—C13	0.7 (2)
N1—C5—C6—C11	−38.55 (18)	C14—C13—C18—C17	−1.6 (2)
N1—C5—C6—C7	143.33 (13)	C12—C13—C18—C17	179.41 (14)

Hydrogen-bond geometry (Å, º) top

Cg3 is the centroid of the C13–C18 ring.

D—H···A	D—H	H···A	D···A	D—H···A
C2—H2···O1ⁱ	0.95	2.38	3.2906 (19)	161 (19)
C11—H11···N2	0.95	2.49	3.126 (2)	124
C11—H11···Cg3	0.95	2.98	3.7103 (17)	135
C17—H17···Cg3ⁱⁱ	0.95	2.98	3.6991 (17)	133

Symmetry codes: (i) −x+1/2, −y+1/2, −z; (ii) x, −y+1, z−1/2.

Experimental details

Crystal data
Chemical formula	C₁₈H₁₆N₂O₂
M_r	292.33
Crystal system, space group	Monoclinic, C2/c
Temperature (K)	113
a, b, c (Å)	32.741 (4), 10.9198 (14), 8.1228 (10)
β (°)	95.92 (2)
V (Å³)	2888.6 (6)
Z	8
Radiation type	Mo Kα
µ (mm⁻¹)	0.09
Crystal size (mm)	0.20 × 0.18 × 0.12

Data collection
Diffractometer	Rigaku Saturn CCD area-detector diffractometer
Absorption correction	Multi-scan CrystalClear
T_min, T_max	0.982, 0.989
No. of measured, independent and observed [I > 2σ(I)] reflections	18031, 3448, 2142
R_int	0.063
(sin θ/λ)_max (Å⁻¹)	0.658

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.047, 0.116, 0.95
No. of reflections	3448
No. of parameters	199
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.23, −0.23

Computer programs: CrystalClear (Rigaku/MSC, 2009), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), CrystalStructure (Rigaku/MSC, 2009).

Hydrogen-bond geometry (Å, º) top

Cg3 is the centroid of the C13–C18 ring.

D—H···A	D—H	H···A	D···A	D—H···A
C2—H2···O1ⁱ	0.95	2.38	3.2906 (19)	161 (19)
C11—H11···N2	0.95	2.49	3.126 (2)	124
C11—H11···Cg3	0.95	2.98	3.7103 (17)	135
C17—H17···Cg3ⁱⁱ	0.95	2.98	3.6991 (17)	133

Symmetry codes: (i) −x+1/2, −y+1/2, −z; (ii) x, −y+1, z−1/2.

Comparative geometrical parameters (Å) for selected Cg—Cg Π stacking interaction, Cg1 is the centroid of the N1,N2,C1-C4 ring (Symmetry codes: 1/2-X,1/2-Y,1-Z). top

CgI—CgJ	Cg—Cg(Å)	CgIPerp(Å)	CgjPerp(Å)	Slippage(Å)
Cg1—Cg1	3.6867 (10)	3.224	3.224	1.789

Acknowledgements

This work was supported by the National Natural Science Foundation of China (grant No. 20972143), the Natural Science Foundation of Henan Province Educational Committee, China (grant Nos. 2010 A150021 and 2007150036) and the High-level Talents Foundation of Xuchang University (grant No. 2010 GC033).

References

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Volume 67| Part 5| May 2011| Page o1042

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