2-[1,1-Dioxo-2-(2,4,5-trifluoro­benz­yl)-2H-1,2-benzothia­zin-4-yl]acetic acid

Yang, Y.; Yu, Y.; Zhu, C.

doi:10.1107/S1600536812015942

organic compounds

CRYSTALLOGRAPHIC
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ISSN: 2056-9890

Volume 68| Part 5| May 2012| Page o1364

doi:10.1107/S1600536812015942

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2-[1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-2H-1,2-benzothiazin-4-yl]acetic acid

Yanchun Yang,^a Youzhu Yu ^b and Changjin Zhu ^a ^*

^aDepartment of Applied Chemistry, Beijing Institute of Technology, Zhongguancun South Street, 100081 Beijing, People's Republic of China, and ^bDepartment of Chemistry and Environmental Engineering, Anyang Institute of Technology, Henan 455000, People's Republic of China
^*Correspondence e-mail: zcj@bit.edu.cn

(Received 13 March 2012; accepted 3 April 2012; online 13 April 2012)

In the title compound, C₁₇H₁₂F₃NO₄S, the heterocyclic thiazine ring adopts a half-chair conformation with the S and the N atoms displaced by −0.608 (3) and 0.105 (3) Å, respectively, from the mean plane formed by the remaining ring atoms. The dihedral angle between the two benzene rings is 36.63 (8)° and the acetic acid group is inclined at right angles [89.78 (8) °] to the mean plane formed by the C atoms of the thiazine ring. The crystal structure features O—H⋯O and C—H⋯O hydrogen bonds.

Related literature

For pharmaceuticals properties of benzothiazines, see: Zia-ur-Rehman et al. (2006 ). For synthetic details of the title compound, see: Chen et al. (2011 ). For related structures, see: Ahmad et al. (2008 ); Zia-ur-Rehman et al. (2008 ).

Experimental

Crystal data

C₁₇H₁₂F₃NO₄S
M_r = 383.34
Monoclinic, P 2₁ /n
a = 8.3290 (17) Å
b = 23.141 (5) Å
c = 8.6692 (17) Å
β = 90.93 (3)°
V = 1670.7 (6) Å³
Z = 4
Mo Kα radiation
μ = 0.25 mm⁻¹
T = 293 K
0.20 × 0.20 × 0.20 mm

Data collection

Bruker APEXII CCD diffractometer
22476 measured reflections
4158 independent reflections
3646 reflections with I > 2σ(I)
R_int = 0.023

Refinement

R[F² > 2σ(F²)] = 0.039
wR(F²) = 0.108
S = 1.03
4158 reflections
239 parameters
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.32 e Å⁻³
Δρ_min = −0.40 e Å⁻³

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1—H1⋯O2ⁱ	0.84 (3)	1.83 (3)	2.675 (2)	179 (3)
C8—H8⋯O3ⁱⁱ	0.93	2.55	3.211 (2)	129
C9—H9A⋯O3ⁱⁱ	0.97	2.30	3.207 (2)	155
C11—H11B⋯O4ⁱⁱⁱ	0.97	2.40	3.162 (2)	135
Symmetry codes: (i) -x+1, -y+1, -z+2; (ii) $[x+{\script{1\over 2}}, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]$ ; (iii) $[x+{\script{1\over 2}}, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]$ .

Data collection: APEX2 (Bruker, 2005 ); cell refinement: SAINT-Plus (Bruker, 2001 ); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL and PLATON (Spek, 2009 ).

Supporting information

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536812015942/pv2523sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536812015942/pv2523Isup2.hkl

Supporting information file. DOI: 10.1107/S1600536812015942/pv2523Isup3.cml

checkCIF report

Comment top

Benzothiazine moiety is present as the skeletal structure in several pharmaceuticals such as antibacterial, diuretic, hypoglycemic, antithyroid, and antitumor drugs (Zia-ur-Rehman et al., 2006). In this article, we report the crystal structure of the title compound which has been used as aldose reductase inhibitor (Chen et al., 2011).

In the title compound (Fig. 1), the heterocyclic thiazine ring adopts a half chair conformation with the S1 and the N1 atoms displaced by -0.608 (3) and 0.105 (3) Å, respectively, from the mean plane formed by the remaining ring atoms (C1/C6/C7/C8). The dihedral angle between the two benze rings (C1–C6) and (C12–C17) is 36.63 (8)° and the acetate group (O1/O2/C9/C10) is inclined at right angles (89.78 (8) °) to the mean plane formed by the C-atoms of the thiazine ring. The crystal structure is stabilized by intermolecular O—H···O and C—H···O hydrogen bonds forming a three-dimensional network (Fig. 2).

Related literature top

For pharmaceuticals properties of benzothiazines, see: Zia-ur-Rehman et al. (2006). For synthetic details of the title compound, see: Chen et al. (2011). For related structures, see: Ahmad et al. (2008); Zia-ur-Rehman et al. (2008).

Experimental top

A mixture of methyl 2-(1,1-dioxido-2-(2,4,5-trifluorobenzyl)-2H-benzo[e][1,2] thiazin-4-yl)acetate (0.5 mmol), 1,4-dioxane (5 ml) and saturated aqueous sodium hydroxide (8 ml) was stirred at room temperature for 12 h. The alkaline suspension was adjusted to be acidic with 0.1 M HCl and extracted with ethyl acetate (3 x 30 ml). The combined organic layers were dried over MgSO₄ and filtered. Crystals suitable for X-ray diffraction were obtained by slow evaporation of a solution of the title compound in methanol (yield = 69%).

Computing details top

Data collection: APEX2 (Bruker, 2005); cell refinement: SAINT-Plus (Bruker, 2001); data reduction: SAINT-Plus (Bruker, 2001); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009).

Figures top

	Fig. 1. The molecular structure of the title compound with the atom numbering scheme. Displacement ellipsoids are drawn at the 30% probability level. H atoms are presented as small spheres of arbitrary radius.
	Fig. 2. A view of the O—H···O and C—-H···O hydrogen bonds (dotted lines) in the crystal structure of the title compound.

2-[1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-2H-1,2-benzothiazin-4-yl]acetic acid top

Crystal data top

C₁₇H₁₂F₃NO₄S	F(000) = 784
M_r = 383.34	D_x = 1.524 Mg m⁻³
Monoclinic, P2₁/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 9975 reflections
a = 8.3290 (17) Å	θ = 2.5–28.4°
b = 23.141 (5) Å	µ = 0.25 mm⁻¹
c = 8.6692 (17) Å	T = 293 K
β = 90.93 (3)°	Block, colorless
V = 1670.7 (6) Å³	0.20 × 0.20 × 0.20 mm
Z = 4

Data collection top

Bruker APEXII CCD diffractometer	3646 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	R_int = 0.023
Graphite monochromator	θ_max = 28.4°, θ_min = 2.5°
ϕ and ω scans	h = −11→11
22476 measured reflections	k = −27→30
4158 independent reflections	l = −11→11

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)] = 0.039	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.108	H atoms treated by a mixture of independent and constrained refinement
S = 1.03	w = 1/[σ²(F_o²) + (0.0536P)² + 0.5773P] where P = (F_o² + 2F_c²)/3
4158 reflections	(Δ/σ)_max < 0.001
239 parameters	Δρ_max = 0.32 e Å⁻³
0 restraints	Δρ_min = −0.40 e Å⁻³

Crystal data top

C₁₇H₁₂F₃NO₄S	V = 1670.7 (6) Å³
M_r = 383.34	Z = 4
Monoclinic, P2₁/n	Mo Kα radiation
a = 8.3290 (17) Å	µ = 0.25 mm⁻¹
b = 23.141 (5) Å	T = 293 K
c = 8.6692 (17) Å	0.20 × 0.20 × 0.20 mm
β = 90.93 (3)°

Data collection top

Bruker APEXII CCD diffractometer	3646 reflections with I > 2σ(I)
22476 measured reflections	R_int = 0.023
4158 independent reflections

Refinement top

R[F² > 2σ(F²)] = 0.039	0 restraints
wR(F²) = 0.108	H atoms treated by a mixture of independent and constrained refinement
S = 1.03	Δρ_max = 0.32 e Å⁻³
4158 reflections	Δρ_min = −0.40 e Å⁻³
239 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
S1	0.11950 (4)	0.232698 (14)	0.97865 (4)	0.03556 (11)
F1	0.69758 (14)	0.21289 (5)	0.89004 (16)	0.0722 (3)
F2	0.6328 (2)	0.02123 (6)	0.73067 (19)	0.0989 (5)
F3	0.3601 (2)	0.01403 (5)	0.8862 (2)	0.0997 (5)
O1	0.4665 (2)	0.48147 (7)	0.79699 (18)	0.0807 (5)
H1	0.504 (4)	0.5074 (14)	0.855 (3)	0.107 (10)*
O2	0.41807 (19)	0.43626 (6)	1.01497 (15)	0.0686 (4)
O3	0.08188 (15)	0.19719 (5)	1.10801 (14)	0.0526 (3)
O4	0.08941 (14)	0.20919 (5)	0.82864 (12)	0.0463 (3)
N1	0.30918 (15)	0.25127 (5)	0.99625 (14)	0.0389 (3)
C1	0.02950 (17)	0.30051 (6)	0.99039 (15)	0.0348 (3)
C2	−0.11807 (18)	0.30537 (7)	1.06150 (18)	0.0419 (3)
H2	−0.1616	0.2741	1.1136	0.050*
C3	−0.19919 (19)	0.35725 (8)	1.0537 (2)	0.0504 (4)
H3	−0.2977	0.3614	1.1014	0.060*
C4	−0.1331 (2)	0.40320 (7)	0.9744 (2)	0.0525 (4)
H4	−0.1901	0.4376	0.9658	0.063*
C5	0.0162 (2)	0.39876 (7)	0.90794 (19)	0.0453 (3)
H5	0.0589	0.4304	0.8568	0.054*
C6	0.10414 (17)	0.34714 (6)	0.91652 (15)	0.0354 (3)
C7	0.26885 (18)	0.34231 (6)	0.86404 (16)	0.0379 (3)
C8	0.36224 (18)	0.29773 (6)	0.90869 (17)	0.0387 (3)
H8	0.4691	0.2980	0.8792	0.046*
C9	0.3439 (2)	0.39103 (6)	0.77500 (19)	0.0448 (3)
H9A	0.4296	0.3755	0.7128	0.054*
H9B	0.2636	0.4074	0.7054	0.054*
C10	0.41079 (18)	0.43834 (6)	0.87590 (19)	0.0433 (3)
C11	0.4227 (2)	0.21175 (7)	1.07534 (18)	0.0448 (3)
H11A	0.3728	0.1972	1.1679	0.054*
H11B	0.5170	0.2336	1.1071	0.054*
C12	0.47589 (19)	0.16095 (7)	0.97972 (17)	0.0419 (3)
C13	0.6136 (2)	0.16311 (7)	0.8936 (2)	0.0480 (4)
C14	0.6717 (2)	0.11724 (9)	0.8094 (2)	0.0594 (4)
H14	0.7667	0.1200	0.7549	0.071*
C15	0.5833 (3)	0.06758 (8)	0.8099 (2)	0.0636 (5)
C16	0.4443 (3)	0.06386 (8)	0.8907 (3)	0.0635 (5)
C17	0.3901 (2)	0.10940 (7)	0.9768 (2)	0.0532 (4)
H17	0.2964	0.1058	1.0329	0.064*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
S1	0.04325 (19)	0.02765 (17)	0.03590 (18)	−0.00299 (12)	0.00411 (13)	0.00177 (12)
F1	0.0606 (7)	0.0529 (6)	0.1035 (9)	−0.0118 (5)	0.0109 (6)	−0.0096 (6)
F2	0.1302 (13)	0.0558 (8)	0.1110 (11)	0.0240 (8)	0.0069 (9)	−0.0322 (7)
F3	0.1114 (11)	0.0384 (7)	0.1489 (14)	−0.0155 (7)	−0.0099 (10)	−0.0094 (7)
O1	0.1217 (14)	0.0547 (9)	0.0655 (9)	−0.0464 (9)	−0.0027 (9)	0.0112 (7)
O2	0.0991 (11)	0.0490 (8)	0.0580 (8)	−0.0326 (7)	0.0064 (7)	−0.0001 (6)
O3	0.0639 (7)	0.0421 (6)	0.0523 (6)	−0.0011 (5)	0.0144 (5)	0.0156 (5)
O4	0.0566 (6)	0.0365 (6)	0.0457 (6)	−0.0028 (5)	−0.0032 (5)	−0.0089 (4)
N1	0.0412 (6)	0.0332 (6)	0.0424 (6)	−0.0001 (5)	−0.0004 (5)	0.0018 (5)
C1	0.0411 (7)	0.0302 (6)	0.0331 (6)	−0.0014 (5)	0.0012 (5)	−0.0017 (5)
C2	0.0420 (7)	0.0416 (8)	0.0423 (7)	−0.0052 (6)	0.0048 (6)	0.0002 (6)
C3	0.0416 (8)	0.0525 (9)	0.0573 (9)	0.0042 (7)	0.0078 (7)	−0.0013 (7)
C4	0.0495 (9)	0.0419 (9)	0.0662 (10)	0.0100 (7)	0.0044 (7)	0.0025 (7)
C5	0.0517 (8)	0.0329 (7)	0.0514 (8)	0.0015 (6)	0.0044 (7)	0.0037 (6)
C6	0.0423 (7)	0.0295 (7)	0.0344 (6)	−0.0023 (5)	0.0020 (5)	−0.0015 (5)
C7	0.0459 (7)	0.0279 (6)	0.0402 (7)	−0.0049 (5)	0.0085 (6)	−0.0032 (5)
C8	0.0403 (7)	0.0327 (7)	0.0434 (7)	−0.0047 (5)	0.0063 (6)	−0.0041 (5)
C9	0.0538 (8)	0.0320 (7)	0.0491 (8)	−0.0048 (6)	0.0167 (7)	−0.0006 (6)
C10	0.0424 (7)	0.0308 (7)	0.0572 (9)	−0.0036 (6)	0.0103 (6)	0.0024 (6)
C11	0.0513 (8)	0.0433 (8)	0.0394 (7)	0.0062 (7)	−0.0103 (6)	−0.0030 (6)
C12	0.0484 (8)	0.0356 (7)	0.0413 (7)	0.0047 (6)	−0.0097 (6)	0.0019 (6)
C13	0.0512 (8)	0.0382 (8)	0.0543 (9)	0.0021 (6)	−0.0063 (7)	−0.0013 (7)
C14	0.0631 (11)	0.0552 (11)	0.0601 (11)	0.0133 (9)	0.0033 (8)	−0.0029 (8)
C15	0.0838 (13)	0.0409 (9)	0.0659 (11)	0.0163 (9)	−0.0075 (10)	−0.0110 (8)
C16	0.0782 (13)	0.0320 (8)	0.0796 (13)	−0.0022 (8)	−0.0153 (10)	−0.0013 (8)
C17	0.0579 (10)	0.0395 (8)	0.0621 (10)	0.0000 (7)	−0.0032 (8)	0.0049 (7)

Geometric parameters (Å, º) top

S1—O4	1.4281 (11)	C5—C6	1.403 (2)
S1—O3	1.4292 (11)	C5—H5	0.9300
S1—N1	1.6420 (13)	C6—C7	1.457 (2)
S1—C1	1.7427 (14)	C7—C8	1.345 (2)
F1—C13	1.348 (2)	C7—C9	1.5076 (19)
F2—C15	1.342 (2)	C8—H8	0.9300
F3—C16	1.350 (2)	C9—C10	1.503 (2)
O1—C10	1.2998 (19)	C9—H9A	0.9700
O1—H1	0.84 (3)	C9—H9B	0.9700
O2—C10	1.207 (2)	C11—C12	1.509 (2)
N1—C8	1.3923 (18)	C11—H11A	0.9700
N1—C11	1.4765 (19)	C11—H11B	0.9700
C1—C2	1.388 (2)	C12—C13	1.379 (2)
C1—C6	1.4049 (19)	C12—C17	1.391 (2)
C2—C3	1.379 (2)	C13—C14	1.380 (2)
C2—H2	0.9300	C14—C15	1.365 (3)
C3—C4	1.385 (2)	C14—H14	0.9300
C3—H3	0.9300	C15—C16	1.366 (3)
C4—C5	1.383 (2)	C16—C17	1.372 (3)
C4—H4	0.9300	C17—H17	0.9300

O4—S1—O3	117.26 (8)	C10—C9—C7	113.55 (13)
O4—S1—N1	109.80 (7)	C10—C9—H9A	108.9
O3—S1—N1	107.48 (8)	C7—C9—H9A	108.9
O4—S1—C1	109.08 (7)	C10—C9—H9B	108.9
O3—S1—C1	111.83 (7)	C7—C9—H9B	108.9
N1—S1—C1	99.97 (7)	H9A—C9—H9B	107.7
C10—O1—H1	111 (2)	O2—C10—O1	122.93 (16)
C8—N1—C11	121.67 (13)	O2—C10—C9	124.36 (14)
C8—N1—S1	117.70 (10)	O1—C10—C9	112.65 (15)
C11—N1—S1	119.28 (11)	N1—C11—C12	114.76 (12)
C2—C1—C6	122.78 (13)	N1—C11—H11A	108.6
C2—C1—S1	118.92 (11)	C12—C11—H11A	108.6
C6—C1—S1	118.10 (10)	N1—C11—H11B	108.6
C3—C2—C1	119.04 (14)	C12—C11—H11B	108.6
C3—C2—H2	120.5	H11A—C11—H11B	107.6
C1—C2—H2	120.5	C13—C12—C17	116.91 (15)
C2—C3—C4	119.63 (15)	C13—C12—C11	121.54 (14)
C2—C3—H3	120.2	C17—C12—C11	121.54 (15)
C4—C3—H3	120.2	F1—C13—C12	118.65 (15)
C5—C4—C3	121.14 (15)	F1—C13—C14	117.28 (16)
C5—C4—H4	119.4	C12—C13—C14	124.07 (16)
C3—C4—H4	119.4	C15—C14—C13	116.87 (18)
C4—C5—C6	120.89 (14)	C15—C14—H14	121.6
C4—C5—H5	119.6	C13—C14—H14	121.6
C6—C5—H5	119.6	F2—C15—C14	120.1 (2)
C5—C6—C1	116.36 (13)	F2—C15—C16	118.81 (19)
C5—C6—C7	122.84 (13)	C14—C15—C16	121.11 (17)
C1—C6—C7	120.62 (13)	F3—C16—C15	118.92 (19)
C8—C7—C6	120.81 (13)	F3—C16—C17	119.8 (2)
C8—C7—C9	118.58 (13)	C15—C16—C17	121.31 (17)
C6—C7—C9	120.18 (13)	C16—C17—C12	119.69 (18)
C7—C8—N1	124.19 (13)	C16—C17—H17	120.2
C7—C8—H8	117.9	C12—C17—H17	120.2
N1—C8—H8	117.9

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1···O2ⁱ	0.84 (3)	1.83 (3)	2.675 (2)	179 (3)
C8—H8···O3ⁱⁱ	0.93	2.55	3.211 (2)	129
C9—H9A···O3ⁱⁱ	0.97	2.30	3.207 (2)	155
C11—H11A···O3	0.97	2.47	2.877 (2)	105
C11—H11B···F1	0.97	2.47	2.818 (2)	101
C11—H11B···O4ⁱⁱⁱ	0.97	2.40	3.162 (2)	135

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

Experimental details

Crystal data
Chemical formula	C₁₇H₁₂F₃NO₄S
M_r	383.34
Crystal system, space group	Monoclinic, P2₁/n
Temperature (K)	293
a, b, c (Å)	8.3290 (17), 23.141 (5), 8.6692 (17)
β (°)	90.93 (3)
V (Å³)	1670.7 (6)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	0.25
Crystal size (mm)	0.20 × 0.20 × 0.20

Data collection
Diffractometer	Bruker APEXII CCD diffractometer
Absorption correction	–
No. of measured, independent and observed [I > 2σ(I)] reflections	22476, 4158, 3646
R_int	0.023
(sin θ/λ)_max (Å⁻¹)	0.669

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.039, 0.108, 1.03
No. of reflections	4158
No. of parameters	239
H-atom treatment	H atoms treated by a mixture of independent and constrained refinement
Δρ_max, Δρ_min (e Å⁻³)	0.32, −0.40

Computer programs: APEX2 (Bruker, 2005), SAINT-Plus (Bruker, 2001), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009).

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1···O2ⁱ	0.84 (3)	1.83 (3)	2.675 (2)	179 (3)
C8—H8···O3ⁱⁱ	0.93	2.55	3.211 (2)	129
C9—H9A···O3ⁱⁱ	0.97	2.30	3.207 (2)	155
C11—H11B···O4ⁱⁱⁱ	0.97	2.40	3.162 (2)	135

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

Acknowledgements

This work was supported by the Beijing Natural Science Foundation (No. 7102091) and the Research Fund for the Doctoral Program of Higher Education of China (No. 20111101110042).

References

Ahmad, M., Latif Siddiqui, H., Zia-ur-Rehman, M., Tizzard, G. J. & Ahmad, S. (2008). Acta Cryst. E64, o1392. Web of Science CSD CrossRef IUCr Journals Google Scholar
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Volume 68| Part 5| May 2012| Page o1364

doi:10.1107/S1600536812015942

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

2-[1,1-Dioxo-2-(2,4,5-tri­fluoro­benz­yl)-2H-1,2-benzo­thia­zin-4-yl]acetic acid

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Experimental

Crystal data

Data collection

Refinement

Supporting information

Acknowledgements

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organic compounds

2-[1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-2H-1,2-benzothiazin-4-yl]acetic acid