(3aR*,5R*)-5-(4-Chloro­phen­yl)-1,2,3,3a-tetra­hydro­benzo[e]pyrrolo­[2,1-b][1,3]ox­azepin-10(5H)-one

Jin, Y.-Z.; Zhang, R.-H.; Fu, D.-X.; Lv, Y.-K.

doi:10.1107/S1600536811020265

organic compounds

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ISSN: 2056-9890

Volume 67| Part 7| July 2011| Page o1594

doi:10.1107/S1600536811020265

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(3aR,5R)-5-(4-Chlorophenyl)-1,2,3,3a-tetrahydrobenzo[e]pyrrolo[2,1-b][1,3]oxazepin-10(5H)-one

Yun-Zhou Jin,^a Rong-Hua Zhang,^a ^* Da-Xu Fu ^a and Yao-Kang Lv ^a

^aChemistry Department, Tongji University, Shanghai 200092, People's Republic of China
^*Correspondence e-mail: TJ_ZRH@163.com

(Received 26 May 2011; accepted 27 May 2011; online 11 June 2011)

The title compound, C₁₈H₁₆ClNO₂, is the main product of a photoreaction. The two benzene rings make a dihedral angle of 86.40 (2)° with each other. The 1,3-oxazepine C atom to which the 4-chlorophenyl group is attached and the C atom of the 4-chlorophenyl group attached to the 1,3-oxazepine ring are chiral C atoms, but the crystal is a racemate in which the enantiomers are linked by a pair of weak intermolecular C—H⋯O hydrogen bond, forming an inversion dimer.

Related literature

For general background to asymmetric photochemical reactions, see: Gratzel (2001 ); Korzeniewski & Zoladz (2001 ); Aubert et al. (2000 ). For photo-induced cyclizations, see Griesbeck et al. (2002 ); Henz et al. (1995 ). For related structures, see: Griesbeck et al. (1997 , 1999 ); Basarić et al. (2008 ).

Experimental

Crystal data

C₁₈H₁₆ClNO₂
M_r = 313.77
Monoclinic, P 2₁ /c
a = 8.1764 (6) Å
b = 16.9030 (11) Å
c = 11.1564 (8) Å
β = 98.224 (6)°
V = 1526.02 (19) Å³
Z = 4
Mo Kα radiation
μ = 0.26 mm⁻¹
T = 296 K
0.22 × 0.18 × 0.15 mm

Data collection

Bruker APEXII area-detector diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ) T_min = 0.676, T_max = 1.000
12942 measured reflections
3478 independent reflections
2393 reflections with I > 2σ(I)
R_int = 0.039

Refinement

R[F² > 2σ(F²)] = 0.047
wR(F²) = 0.181
S = 1.04
3478 reflections
199 parameters
H-atom parameters constrained
Δρ_max = 0.31 e Å⁻³
Δρ_min = −0.37 e Å⁻³

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
C12—H12A⋯O1ⁱ	0.98	2.27	3.206 (3)	159
Symmetry code: (i) -x+1, -y, -z+1.

Data collection: APEX2 (Bruker, 2006 ); cell refinement: SAINT (Bruker, 2006); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg & Putz, 2004 ); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Supporting information

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536811020265/ff2014sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536811020265/ff2014Isup2.hkl

Supporting information file. DOI: 10.1107/S1600536811020265/ff2014Isup3.cml

checkCIF report

Comment top

In modern organic chemistry preparative organic photochemistry is an important tool to synthesize complex compounds in one step.(Gratzel, 2001; Korzeniewski & Zoladz, 2001; Aubert et al., 2000). Benzophenone acylamide derivatives can form the seven-membered ring through the intramolecular photoinduced decarboxylation and cyclization (Griesbeck et al., 2002; Henz et al.,1995). We report herein the crystal structure and synthesis of the title compound.

The structure of the title compound is shown in Fig.1. The dihedral angle between the two benzene rings is 86.40 (2). Atoms C11 and C12 of the title compound are chiral, but the compound crystallizes as a racemate, in which R and S pairs are linked by pairs of weak intermolecular C—H···O hydrogen bonds (Fig. 2).

Related literature top

For general background to asymmetric photochemical reactions, see: Gratzel (2001); Korzeniewski & Zoladz (2001); Aubert et al. (2000). For photo-induced cyclizations, see Griesbeck et al. (2002); Henz et al. (1995). For related structures, see: Griesbeck et al. (1997, 1999); Basarić et al. (2008).

Experimental top

The title compound was the main product of the photoreaction of (S)-1-(2-(4-chlorobenzoyl) benzoyl)pyrrolidine-2-carboxylic acid under N₂ for 10 h (Fig.3). The compound was purified by flash column chromatography (silica gel column, petroleum ether/ethyl acetate=4/1). Colourless crystals for the X-ray crystallographic studies were gained from slow evaporation of a dichloromethane solution.

Computing details top

Data collection: APEX2 (Bruker, 2006); cell refinement: SAINT (Bruker, 2006); data reduction: SAINT (Bruker, 2006); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg & Putz, 2004); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top

	Fig. 1. The molecular structure of the title compound with displacement ellipsoids drawn at the 50% probability level. H atoms are omitted for clarity.
	Fig. 2. Partial packing diagram showing the C—H···O interaction in the racemate.
	Fig. 3. Reaction scheme of the preparation of the title compound.

(3aR*,5R*)-5-(4-Chlorophenyl)-1,2,3,3a- tetrahydrobenzo[e]pyrrolo[2,1-b][1,3]oxazepin-10(5H)-one top

Crystal data top

C₁₈H₁₆ClNO₂	F(000) = 656
M_r = 313.77	D_x = 1.366 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 3950 reflections
a = 8.1764 (6) Å	θ = 2.2–27.5°
b = 16.9030 (11) Å	µ = 0.26 mm⁻¹
c = 11.1564 (8) Å	T = 296 K
β = 98.224 (6)°	Prism, colourless
V = 1526.02 (19) Å³	0.22 × 0.18 × 0.15 mm
Z = 4

Data collection top

Bruker APEXII area-detector diffractometer	3478 independent reflections
Radiation source: fine-focus sealed tube	2393 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.039
ω scans	θ_max = 27.5°, θ_min = 2.2°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −10→10
T_min = 0.676, T_max = 1.000	k = −21→19
12942 measured reflections	l = −14→14

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) = 0.181	H-atom parameters constrained
S = 1.04	w = 1/[σ²(F_o²) + (0.092P)²] where P = (F_o² + 2F_c²)/3
3478 reflections	(Δ/σ)_max < 0.001
199 parameters	Δρ_max = 0.31 e Å⁻³
0 restraints	Δρ_min = −0.37 e Å⁻³

Crystal data top

C₁₈H₁₆ClNO₂	V = 1526.02 (19) Å³
M_r = 313.77	Z = 4
Monoclinic, P2₁/c	Mo Kα radiation
a = 8.1764 (6) Å	µ = 0.26 mm⁻¹
b = 16.9030 (11) Å	T = 296 K
c = 11.1564 (8) Å	0.22 × 0.18 × 0.15 mm
β = 98.224 (6)°

Data collection top

Bruker APEXII area-detector diffractometer	3478 independent reflections
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	2393 reflections with I > 2σ(I)
T_min = 0.676, T_max = 1.000	R_int = 0.039
12942 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.047	0 restraints
wR(F²) = 0.181	H-atom parameters constrained
S = 1.04	Δρ_max = 0.31 e Å⁻³
3478 reflections	Δρ_min = −0.37 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
Cl1	0.03682 (9)	−0.29821 (4)	−0.05399 (7)	0.0622 (3)
N1	0.4690 (3)	0.10862 (13)	0.34094 (18)	0.0480 (5)
C1	0.5968 (3)	−0.03368 (14)	0.2353 (2)	0.0413 (6)
O1	0.6417 (2)	0.07672 (14)	0.51050 (16)	0.0688 (6)
O2	0.3452 (2)	0.04181 (10)	0.16210 (15)	0.0489 (5)
C2	0.6842 (3)	−0.08243 (15)	0.1681 (2)	0.0499 (6)
H2A	0.6277	−0.1146	0.1084	0.060*
C3	0.8560 (3)	−0.08382 (18)	0.1887 (3)	0.0651 (8)
H3A	0.9132	−0.1165	0.1420	0.078*
C4	0.9415 (3)	−0.03783 (18)	0.2764 (3)	0.0683 (9)
H4A	1.0564	−0.0392	0.2897	0.082*
C5	0.8567 (3)	0.01065 (17)	0.3453 (3)	0.0574 (7)
H5A	0.9148	0.0415	0.4060	0.069*
C6	0.6849 (3)	0.01392 (15)	0.3250 (2)	0.0445 (6)
C7	0.5983 (3)	0.06870 (16)	0.4016 (2)	0.0501 (6)
C8	0.3617 (4)	0.16033 (19)	0.4019 (3)	0.0692 (9)
H8A	0.4206	0.2071	0.4349	0.083*
H8B	0.3182	0.1325	0.4665	0.083*
C9	0.2247 (4)	0.1818 (2)	0.2998 (3)	0.0719 (9)
H9A	0.1359	0.1433	0.2931	0.086*
H9B	0.1801	0.2338	0.3121	0.086*
C10	0.3120 (4)	0.18035 (17)	0.1886 (3)	0.0631 (8)
H10A	0.2336	0.1728	0.1157	0.076*
H10B	0.3719	0.2293	0.1814	0.076*
C11	0.4297 (3)	0.11097 (15)	0.2095 (2)	0.0461 (6)
H11A	0.5292	0.1201	0.1718	0.055*
C12	0.4073 (3)	−0.03092 (14)	0.2181 (2)	0.0413 (5)
H12A	0.3737	−0.0326	0.2989	0.050*
C13	0.3216 (3)	−0.09805 (14)	0.1466 (2)	0.0415 (5)
C14	0.2537 (3)	−0.08971 (16)	0.0260 (2)	0.0541 (7)
H14A	0.2660	−0.0423	−0.0140	0.065*
C15	0.1679 (3)	−0.15155 (16)	−0.0348 (2)	0.0545 (7)
H15A	0.1214	−0.1451	−0.1153	0.065*
C16	0.1508 (3)	−0.22169 (14)	0.0218 (2)	0.0456 (6)
C17	0.2183 (3)	−0.23170 (16)	0.1421 (2)	0.0500 (6)
H17A	0.2075	−0.2797	0.1809	0.060*
C18	0.3018 (3)	−0.16948 (16)	0.2039 (2)	0.0488 (6)
H18A	0.3454	−0.1756	0.2850	0.059*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cl1	0.0607 (4)	0.0489 (4)	0.0745 (5)	−0.0033 (3)	0.0014 (4)	−0.0117 (3)
N1	0.0496 (12)	0.0520 (12)	0.0433 (11)	−0.0005 (10)	0.0095 (9)	−0.0059 (9)
C1	0.0387 (12)	0.0429 (13)	0.0426 (13)	0.0014 (10)	0.0065 (10)	0.0107 (10)
O1	0.0684 (13)	0.0907 (16)	0.0452 (11)	−0.0246 (11)	0.0010 (9)	−0.0051 (10)
O2	0.0487 (10)	0.0453 (10)	0.0494 (10)	0.0068 (8)	−0.0042 (8)	−0.0017 (8)
C2	0.0471 (13)	0.0444 (13)	0.0594 (16)	0.0057 (11)	0.0119 (12)	0.0081 (11)
C3	0.0515 (15)	0.0518 (16)	0.096 (2)	0.0119 (13)	0.0243 (16)	0.0092 (16)
C4	0.0383 (13)	0.0613 (18)	0.104 (3)	0.0062 (13)	0.0070 (15)	0.0223 (17)
C5	0.0412 (13)	0.0593 (17)	0.0688 (18)	−0.0024 (12)	−0.0019 (13)	0.0132 (14)
C6	0.0417 (12)	0.0508 (14)	0.0398 (13)	−0.0027 (11)	0.0012 (10)	0.0109 (10)
C7	0.0473 (13)	0.0552 (16)	0.0476 (14)	−0.0167 (12)	0.0064 (12)	−0.0008 (12)
C8	0.0699 (19)	0.068 (2)	0.074 (2)	−0.0016 (16)	0.0257 (16)	−0.0235 (16)
C9	0.0612 (17)	0.0620 (19)	0.095 (2)	0.0130 (15)	0.0202 (17)	−0.0128 (17)
C10	0.0603 (17)	0.0490 (15)	0.079 (2)	0.0093 (13)	0.0079 (15)	0.0013 (14)
C11	0.0473 (13)	0.0464 (14)	0.0444 (14)	0.0010 (11)	0.0057 (11)	−0.0002 (11)
C12	0.0390 (11)	0.0472 (13)	0.0383 (12)	0.0004 (10)	0.0070 (10)	0.0011 (10)
C13	0.0373 (11)	0.0466 (13)	0.0408 (12)	0.0008 (10)	0.0066 (10)	0.0007 (10)
C14	0.0646 (16)	0.0526 (15)	0.0444 (14)	−0.0120 (13)	0.0053 (13)	0.0066 (11)
C15	0.0674 (17)	0.0589 (17)	0.0353 (13)	−0.0085 (13)	0.0003 (12)	−0.0006 (11)
C16	0.0412 (12)	0.0443 (13)	0.0514 (14)	0.0013 (10)	0.0066 (11)	−0.0060 (11)
C17	0.0543 (14)	0.0441 (13)	0.0507 (14)	0.0039 (12)	0.0042 (12)	0.0053 (11)
C18	0.0464 (13)	0.0511 (14)	0.0471 (14)	0.0048 (11)	0.0000 (11)	0.0055 (11)

Geometric parameters (Å, º) top

Cl1—C16	1.741 (2)	C8—H8B	0.9700
N1—C7	1.351 (3)	C9—C10	1.517 (4)
N1—C11	1.456 (3)	C9—H9A	0.9700
N1—C8	1.472 (3)	C9—H9B	0.9700
C1—C2	1.381 (4)	C10—C11	1.514 (4)
C1—C6	1.400 (3)	C10—H10A	0.9700
C1—C12	1.534 (3)	C10—H10B	0.9700
O1—C7	1.223 (3)	C11—H11A	0.9800
O2—C11	1.421 (3)	C12—C13	1.502 (3)
O2—C12	1.438 (3)	C12—H12A	0.9800
C2—C3	1.390 (3)	C13—C18	1.386 (3)
C2—H2A	0.9300	C13—C14	1.387 (3)
C3—C4	1.362 (4)	C14—C15	1.382 (3)
C3—H3A	0.9300	C14—H14A	0.9300
C4—C5	1.377 (4)	C15—C16	1.360 (4)
C4—H4A	0.9300	C15—H15A	0.9300
C5—C6	1.392 (3)	C16—C17	1.386 (3)
C5—H5A	0.9300	C17—C18	1.383 (4)
C6—C7	1.505 (4)	C17—H17A	0.9300
C8—C9	1.523 (4)	C18—H18A	0.9300
C8—H8A	0.9700

C7—N1—C11	124.2 (2)	C11—C10—C9	104.4 (2)
C7—N1—C8	122.7 (2)	C11—C10—H10A	110.9
C11—N1—C8	112.9 (2)	C9—C10—H10A	110.9
C2—C1—C6	118.5 (2)	C11—C10—H10B	110.9
C2—C1—C12	122.8 (2)	C9—C10—H10B	110.9
C6—C1—C12	118.6 (2)	H10A—C10—H10B	108.9
C11—O2—C12	114.74 (15)	O2—C11—N1	112.2 (2)
C1—C2—C3	120.6 (3)	O2—C11—C10	108.37 (19)
C1—C2—H2A	119.7	N1—C11—C10	102.7 (2)
C3—C2—H2A	119.7	O2—C11—H11A	111.1
C4—C3—C2	120.8 (3)	N1—C11—H11A	111.1
C4—C3—H3A	119.6	C10—C11—H11A	111.1
C2—C3—H3A	119.6	O2—C12—C13	107.83 (17)
C3—C4—C5	119.5 (3)	O2—C12—C1	111.60 (19)
C3—C4—H4A	120.2	C13—C12—C1	115.5 (2)
C5—C4—H4A	120.2	O2—C12—H12A	107.2
C4—C5—C6	120.7 (3)	C13—C12—H12A	107.2
C4—C5—H5A	119.7	C1—C12—H12A	107.2
C6—C5—H5A	119.7	C18—C13—C14	118.6 (2)
C5—C6—C1	119.9 (3)	C18—C13—C12	119.3 (2)
C5—C6—C7	118.6 (2)	C14—C13—C12	122.0 (2)
C1—C6—C7	121.6 (2)	C15—C14—C13	120.3 (2)
O1—C7—N1	122.5 (3)	C15—C14—H14A	119.9
O1—C7—C6	122.6 (2)	C13—C14—H14A	119.9
N1—C7—C6	114.9 (2)	C16—C15—C14	120.7 (2)
N1—C8—C9	102.7 (2)	C16—C15—H15A	119.7
N1—C8—H8A	111.2	C14—C15—H15A	119.7
C9—C8—H8A	111.2	C15—C16—C17	120.2 (2)
N1—C8—H8B	111.2	C15—C16—Cl1	120.34 (19)
C9—C8—H8B	111.2	C17—C16—Cl1	119.4 (2)
H8A—C8—H8B	109.1	C18—C17—C16	119.3 (2)
C10—C9—C8	103.0 (2)	C18—C17—H17A	120.4
C10—C9—H9A	111.2	C16—C17—H17A	120.4
C8—C9—H9A	111.2	C17—C18—C13	121.0 (2)
C10—C9—H9B	111.2	C17—C18—H18A	119.5
C8—C9—H9B	111.2	C13—C18—H18A	119.5
H9A—C9—H9B	109.1

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
C12—H12A···O1ⁱ	0.98	2.27	3.206 (3)	159

Symmetry code: (i) −x+1, −y, −z+1.

Experimental details

Crystal data
Chemical formula	C₁₈H₁₆ClNO₂
M_r	313.77
Crystal system, space group	Monoclinic, P2₁/c
Temperature (K)	296
a, b, c (Å)	8.1764 (6), 16.9030 (11), 11.1564 (8)
β (°)	98.224 (6)
V (Å³)	1526.02 (19)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	0.26
Crystal size (mm)	0.22 × 0.18 × 0.15

Data collection
Diffractometer	Bruker APEXII area-detector diffractometer
Absorption correction	Multi-scan (SADABS; Sheldrick, 1996)
T_min, T_max	0.676, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections	12942, 3478, 2393
R_int	0.039
(sin θ/λ)_max (Å⁻¹)	0.649

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.047, 0.181, 1.04
No. of reflections	3478
No. of parameters	199
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.31, −0.37

Computer programs: APEX2 (Bruker, 2006), SAINT (Bruker, 2006), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), DIAMOND (Brandenburg & Putz, 2004), SHELXTL (Sheldrick, 2008).

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
C12—H12A···O1ⁱ	0.98	2.27	3.206 (3)	159

Symmetry code: (i) −x+1, −y, −z+1.

Acknowledgements

Financial support from the National Natural Science Foundation of China is gratefully acknowledged.

References

Aubert, C., Vos, M. H., Mathias, P., Eker, A. M. & Brettle, K. (2000). Nature (London), 407, 926. Web of Science CrossRef Google Scholar
Basarić, N., Horvat, M., Mlinarić-Majerski, K., Zimmermann, E., Neudörfl, J. & Griesbeck, A. G. (2008). Org. Lett. 10, 3965–3968. Web of Science PubMed Google Scholar
Brandenburg, K. & Putz, H. (2004). DIAMOND. Crystal Impact GbR, Bonn, Germany. Google Scholar
Bruker (2006). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA. Google Scholar
Gratzel, M. (2001). Pure Appl. Chem. 73, 459–467. CAS Google Scholar
Griesbeck, A. G., Heinrich, T., Oelgemöller, M., Molis, A. & Heidtann, A. (2002). Helv. Chim. Acta, 85, 4561–4577. CrossRef CAS Google Scholar
Griesbeck, A. G., Henz, A., Kramer, W., Lex, J., Nerowshi, F. & Oelgemöller, M. (1997). Helv. Chim. Acta, 80, 912–933. CSD CrossRef CAS Web of Science Google Scholar
Griesbeck, A. G., Nerowski, F. & Lex, J. (1999). J. Org. Chem. 64, 5213–5217. Web of Science CSD CrossRef CAS Google Scholar
Henz, A., Griesbeck, A. G. & Peters, K. (1995). Angew. Chem. Int. Ed. 34, 474–491. Google Scholar
Korzeniewski, B. & Zoladz, J. A. (2001). Biophys. Chem. 92, 7–34. CrossRef Google Scholar
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany. Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar

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Volume 67| Part 7| July 2011| Page o1594

doi:10.1107/S1600536811020265

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organic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

(3aR*,5R*)-5-(4-Chloro­phen­yl)-1,2,3,3a-tetra­hydro­benzo[e]pyrrolo­[2,1-b][1,3]ox­azepin-10(5H)-one

Related literature

Experimental

Crystal data

Data collection

Refinement

Supporting information

Acknowledgements

References

organic compounds

(3aR,5R)-5-(4-Chlorophenyl)-1,2,3,3a-tetrahydrobenzo[e]pyrrolo[2,1-b][1,3]oxazepin-10(5H)-one