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The title compound, C13H8BrNO3S, crystallizes with two mol­ecules in the asymmetric unit. All bond lengths and angles in both mol­ecules show normal values. In the crystal structure, the mol­ecules are stabilized by inter­molecular C—H...O hydrogen bonds and short Br...O inter­actions.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807001730/om2091sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536807001730/om2091Isup2.hkl
Contains datablock I

CCDC reference: 636774

Key indicators

  • Single-crystal X-ray study
  • T = 100 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.041
  • wR factor = 0.116
  • Data-to-parameter ratio = 30.7

checkCIF/PLATON results

No syntax errors found



Alert level C STRVA01_ALERT_4_C Flack test results are ambiguous. From the CIF: _refine_ls_abs_structure_Flack 0.352 From the CIF: _refine_ls_abs_structure_Flack_su 0.006 PLAT033_ALERT_2_C Flack Parameter Value Deviates from Zero ....... 0.35 PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.92 PLAT431_ALERT_2_C Short Inter HL..A Contact Br1A .. O3A .. 3.14 Ang. PLAT431_ALERT_2_C Short Inter HL..A Contact Br1B .. O3B .. 3.17 Ang. PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 12
Alert level G ABSTM02_ALERT_3_G When printed, the submitted absorption T values will be replaced by the scaled T values. Since the ratio of scaled T's is identical to the ratio of reported T values, the scaling does not imply a change to the absorption corrections used in the study. Ratio of Tmax expected/reported 0.915 Tmax scaled 0.485 Tmin scaled 0.238 REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 37.50 From the CIF: _reflns_number_total 10546 Count of symmetry unique reflns 6627 Completeness (_total/calc) 159.14% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 3919 Fraction of Friedel pairs measured 0.591 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: APEX2 (Bruker, 2005); cell refinement: APEX2; data reduction: SAINT (Bruker, 2005); program(s) used to solve structure: SHELXTL (Sheldrick, 1998); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL, PARST (Nardelli, 1995) and PLATON (Spek, 2003).

3-(5-Bromo-2-thienyl)-1-(4-nitrophenyl)prop-2-en-1-one top
Crystal data top
C13H8BrNO3SF(000) = 1344
Mr = 338.17Dx = 1.788 Mg m3
Monoclinic, CcMo Kα radiation, λ = 0.71073 Å
Hall symbol: C -2ycCell parameters from 6031 reflections
a = 6.3062 (2) Åθ = 1.3–37.5°
b = 30.3062 (8) ŵ = 3.44 mm1
c = 13.1854 (4) ÅT = 100 K
β = 94.549 (1)°Block, yellow
V = 2512.02 (13) Å30.53 × 0.27 × 0.21 mm
Z = 8
Data collection top
Bruker SMART APEX-II CCD area-detector
diffractometer
10546 independent reflections
Radiation source: fine-focus sealed tube9054 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.046
Detector resolution: 8.33 pixels mm-1θmax = 37.5°, θmin = 1.3°
ω scansh = 1010
Absorption correction: multi-scan
(SADABS; Bruker, 2005)
k = 5051
Tmin = 0.260, Tmax = 0.531l = 2222
22566 measured reflections
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.042H-atom parameters constrained
wR(F2) = 0.116 w = 1/[σ2(Fo2) + (0.0671P)2]
where P = (Fo2 + 2Fc2)/3
S = 1.01(Δ/σ)max < 0.001
10546 reflectionsΔρmax = 1.09 e Å3
344 parametersΔρmin = 1.04 e Å3
2 restraintsAbsolute structure: Flack (1983), 3980 Friedel pairs
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.352 (6)
Special details top

Experimental. The data was collected with the Oxford Cyrosystem Cobra low-temperature attachment.

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
xyzUiso*/Ueq
Br1A0.85252 (4)0.404914 (8)0.00995 (3)0.02630 (6)
S1A1.00249 (11)0.30686 (2)0.02960 (6)0.02495 (13)
O1A1.5261 (3)0.16360 (7)0.0386 (2)0.0276 (4)
O2A0.6744 (4)0.00677 (8)0.0419 (2)0.0330 (5)
O3A0.9695 (4)0.02863 (7)0.01172 (19)0.0286 (4)
N1A0.8657 (4)0.00569 (8)0.01956 (19)0.0237 (4)
C1A0.9844 (4)0.12576 (8)0.0111 (2)0.0197 (4)
H1AA0.91480.15240.02460.024*
C2A0.8737 (4)0.08645 (8)0.0250 (2)0.0204 (4)
H2AA0.73080.08630.04870.024*
C3A0.9809 (4)0.04734 (8)0.0028 (2)0.0200 (4)
C4A1.1934 (5)0.04579 (9)0.0344 (2)0.0224 (4)
H4AA1.26030.01900.04990.027*
C5A1.3032 (4)0.08546 (9)0.0478 (2)0.0206 (4)
H5AA1.44510.08540.07310.025*
C6A1.1994 (4)0.12563 (8)0.0231 (2)0.0192 (4)
C7A1.3321 (4)0.16669 (8)0.0322 (2)0.0205 (4)
C8A1.2245 (4)0.21004 (8)0.0317 (2)0.0212 (4)
H8AA1.07860.21180.03700.025*
C9A1.3407 (5)0.24706 (8)0.0233 (2)0.0209 (4)
H9AA1.48610.24320.01910.025*
C10A1.2645 (4)0.29183 (8)0.0200 (2)0.0200 (4)
C11A1.3878 (4)0.32813 (9)0.0056 (3)0.0248 (5)
H11A1.53370.32650.00010.030*
C12A1.2725 (5)0.36858 (9)0.0002 (2)0.0241 (5)
H12A1.33220.39610.00990.029*
C13A1.0629 (4)0.36135 (9)0.0117 (2)0.0219 (4)
Br1B0.35263 (4)0.273081 (9)0.30616 (3)0.02828 (7)
S1B0.18815 (12)0.17629 (2)0.28367 (6)0.02276 (12)
O1B0.3477 (4)0.03735 (8)0.2097 (2)0.0318 (5)
O2B0.4996 (4)0.12132 (9)0.2911 (2)0.0368 (5)
O3B0.2039 (4)0.15681 (8)0.2585 (3)0.0406 (7)
N1B0.3070 (5)0.12263 (8)0.2714 (2)0.0266 (5)
C1B0.1878 (5)0.00263 (9)0.2792 (2)0.0221 (4)
H1BA0.25810.02370.29600.026*
C2B0.2975 (5)0.04210 (9)0.2881 (2)0.0238 (5)
H2BA0.44090.04270.31080.029*
C3B0.1887 (5)0.08071 (9)0.2622 (2)0.0218 (4)
C4B0.0249 (4)0.08143 (9)0.2290 (2)0.0224 (4)
H4BA0.09470.10790.21400.027*
C5B0.1321 (4)0.04158 (8)0.2188 (2)0.0213 (4)
H5BA0.27430.04120.19400.026*
C6B0.0281 (4)0.00194 (8)0.2453 (2)0.0201 (4)
C7B0.1566 (5)0.03968 (8)0.2342 (2)0.0222 (4)
C8B0.0480 (5)0.08246 (9)0.2534 (2)0.0225 (4)
H8BA0.09530.08330.27630.027*
C9B0.1591 (5)0.12024 (9)0.2375 (2)0.0233 (5)
H9BA0.30310.11750.21710.028*
C10B0.0765 (5)0.16443 (9)0.2489 (2)0.0227 (4)
C11B0.1950 (5)0.20244 (9)0.2367 (3)0.0264 (5)
H11B0.34010.20270.21760.032*
C12B0.0721 (5)0.24146 (9)0.2563 (3)0.0265 (5)
H12B0.12760.26990.25270.032*
C13B0.1338 (5)0.23198 (9)0.2807 (2)0.0233 (5)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Br1A0.02921 (12)0.01585 (10)0.03400 (14)0.00206 (9)0.00344 (10)0.00044 (10)
S1A0.0228 (3)0.0154 (3)0.0366 (4)0.0013 (2)0.0022 (3)0.0032 (2)
O1A0.0242 (9)0.0203 (9)0.0380 (12)0.0009 (7)0.0005 (8)0.0009 (8)
O2A0.0301 (10)0.0255 (10)0.0430 (13)0.0082 (8)0.0011 (10)0.0017 (9)
O3A0.0393 (11)0.0140 (8)0.0329 (11)0.0004 (7)0.0050 (9)0.0010 (8)
N1A0.0340 (11)0.0161 (9)0.0216 (10)0.0040 (7)0.0057 (9)0.0010 (8)
C1A0.0209 (10)0.0157 (9)0.0226 (11)0.0014 (7)0.0012 (8)0.0010 (8)
C2A0.0233 (10)0.0166 (9)0.0212 (10)0.0009 (7)0.0011 (8)0.0001 (8)
C3A0.0254 (11)0.0156 (9)0.0194 (10)0.0014 (7)0.0044 (9)0.0013 (8)
C4A0.0278 (11)0.0152 (10)0.0241 (11)0.0034 (8)0.0017 (9)0.0004 (8)
C5A0.0215 (10)0.0167 (10)0.0233 (11)0.0024 (7)0.0012 (9)0.0007 (8)
C6A0.0229 (10)0.0144 (9)0.0201 (10)0.0001 (7)0.0007 (8)0.0002 (8)
C7A0.0256 (11)0.0144 (9)0.0213 (11)0.0009 (7)0.0013 (9)0.0009 (8)
C8A0.0258 (11)0.0147 (10)0.0229 (11)0.0003 (7)0.0012 (9)0.0005 (8)
C9A0.0241 (10)0.0151 (9)0.0237 (12)0.0005 (8)0.0026 (9)0.0001 (8)
C10A0.0224 (10)0.0152 (9)0.0221 (11)0.0015 (7)0.0015 (8)0.0001 (8)
C11A0.0255 (12)0.0178 (10)0.0318 (14)0.0024 (8)0.0061 (10)0.0003 (10)
C12A0.0289 (12)0.0142 (9)0.0299 (13)0.0035 (8)0.0067 (10)0.0017 (9)
C13A0.0256 (11)0.0158 (10)0.0244 (11)0.0004 (8)0.0022 (9)0.0004 (9)
Br1B0.03412 (14)0.01846 (12)0.03213 (14)0.00410 (10)0.00172 (11)0.00381 (10)
S1B0.0284 (3)0.0153 (3)0.0243 (3)0.0008 (2)0.0004 (2)0.0005 (2)
O1B0.0268 (10)0.0208 (9)0.0470 (14)0.0011 (7)0.0036 (9)0.0032 (9)
O2B0.0318 (11)0.0276 (11)0.0506 (16)0.0080 (8)0.0006 (11)0.0014 (10)
O3B0.0368 (12)0.0173 (9)0.068 (2)0.0010 (8)0.0078 (13)0.0036 (11)
N1B0.0344 (12)0.0163 (9)0.0293 (12)0.0019 (8)0.0046 (10)0.0006 (8)
C1B0.0268 (11)0.0166 (10)0.0228 (11)0.0010 (8)0.0019 (9)0.0003 (9)
C2B0.0252 (11)0.0209 (11)0.0250 (12)0.0002 (8)0.0009 (9)0.0005 (9)
C3B0.0277 (11)0.0158 (10)0.0219 (11)0.0016 (8)0.0023 (9)0.0003 (8)
C4B0.0257 (11)0.0159 (10)0.0257 (12)0.0017 (8)0.0039 (9)0.0019 (9)
C5B0.0246 (10)0.0160 (10)0.0231 (11)0.0015 (7)0.0016 (9)0.0009 (8)
C6B0.0252 (10)0.0155 (9)0.0200 (10)0.0001 (7)0.0039 (8)0.0018 (8)
C7B0.0308 (12)0.0150 (10)0.0207 (11)0.0015 (8)0.0006 (9)0.0026 (8)
C8B0.0289 (12)0.0159 (10)0.0221 (11)0.0005 (8)0.0003 (9)0.0014 (8)
C9B0.0283 (12)0.0167 (10)0.0245 (12)0.0008 (8)0.0004 (9)0.0005 (9)
C10B0.0283 (11)0.0149 (10)0.0243 (11)0.0024 (8)0.0023 (9)0.0004 (9)
C11B0.0283 (12)0.0187 (11)0.0318 (14)0.0014 (8)0.0011 (11)0.0013 (10)
C12B0.0332 (13)0.0159 (11)0.0303 (14)0.0012 (9)0.0018 (11)0.0022 (10)
C13B0.0319 (13)0.0154 (10)0.0226 (11)0.0005 (8)0.0025 (10)0.0025 (8)
Geometric parameters (Å, º) top
Br1A—C13A1.871 (3)Br1B—C13B1.869 (3)
S1A—C13A1.716 (3)S1B—C13B1.722 (3)
S1A—C10A1.728 (3)S1B—C10B1.733 (3)
O1A—C7A1.223 (3)O1B—C7B1.224 (4)
O2A—N1A1.219 (4)O2B—N1B1.223 (4)
O3A—N1A1.229 (3)O3B—N1B1.228 (4)
N1A—C3A1.465 (3)N1B—C3B1.473 (4)
C1A—C2A1.385 (4)C1B—C2B1.382 (4)
C1A—C6A1.395 (4)C1B—C6B1.399 (4)
C1A—H1AA0.9300C1B—H1BA0.9300
C2A—C3A1.384 (4)C2B—C3B1.385 (4)
C2A—H2AA0.9300C2B—H2BA0.9300
C3A—C4A1.391 (4)C3B—C4B1.383 (4)
C4A—C5A1.391 (4)C4B—C5B1.385 (4)
C4A—H4AA0.9300C4B—H4BA0.9300
C5A—C6A1.408 (4)C5B—C6B1.400 (4)
C5A—H5AA0.9300C5B—H5BA0.9300
C6A—C7A1.499 (4)C6B—C7B1.500 (4)
C7A—C8A1.478 (4)C7B—C8B1.479 (4)
C8A—C9A1.350 (4)C8B—C9B1.350 (4)
C8A—H8AA0.9300C8B—H8BA0.9300
C9A—C10A1.439 (4)C9B—C10B1.441 (4)
C9A—H9AA0.9300C9B—H9BA0.9300
C10A—C11A1.369 (4)C10B—C11B1.375 (4)
C11A—C12A1.424 (4)C11B—C12B1.426 (4)
C11A—H11A0.9300C11B—H11B0.9300
C12A—C13A1.360 (4)C12B—C13B1.344 (4)
C12A—H12A0.9300C12B—H12B0.9300
C13A—S1A—C10A91.12 (13)C13B—S1B—C10B90.67 (14)
O2A—N1A—O3A123.6 (3)O2B—N1B—O3B124.3 (3)
O2A—N1A—C3A118.9 (2)O2B—N1B—C3B118.5 (3)
O3A—N1A—C3A117.5 (3)O3B—N1B—C3B117.2 (3)
C2A—C1A—C6A120.5 (2)C2B—C1B—C6B120.5 (3)
C2A—C1A—H1AA119.8C2B—C1B—H1BA119.7
C6A—C1A—H1AA119.8C6B—C1B—H1BA119.7
C3A—C2A—C1A118.4 (2)C1B—C2B—C3B118.4 (3)
C3A—C2A—H2AA120.8C1B—C2B—H2BA120.8
C1A—C2A—H2AA120.8C3B—C2B—H2BA120.8
C2A—C3A—C4A123.0 (2)C4B—C3B—C2B122.8 (2)
C2A—C3A—N1A118.5 (2)C4B—C3B—N1B119.1 (2)
C4A—C3A—N1A118.5 (2)C2B—C3B—N1B118.1 (3)
C3A—C4A—C5A118.1 (2)C3B—C4B—C5B118.2 (2)
C3A—C4A—H4AA120.9C3B—C4B—H4BA120.9
C5A—C4A—H4AA120.9C5B—C4B—H4BA120.9
C4A—C5A—C6A120.0 (2)C4B—C5B—C6B120.6 (3)
C4A—C5A—H5AA120.0C4B—C5B—H5BA119.7
C6A—C5A—H5AA120.0C6B—C5B—H5BA119.7
C1A—C6A—C5A119.9 (2)C1B—C6B—C5B119.5 (2)
C1A—C6A—C7A123.1 (2)C1B—C6B—C7B123.2 (2)
C5A—C6A—C7A116.9 (2)C5B—C6B—C7B117.3 (2)
O1A—C7A—C8A121.6 (2)O1B—C7B—C8B121.9 (3)
O1A—C7A—C6A119.4 (2)O1B—C7B—C6B119.3 (3)
C8A—C7A—C6A119.0 (2)C8B—C7B—C6B118.8 (2)
C9A—C8A—C7A119.2 (2)C9B—C8B—C7B119.3 (3)
C9A—C8A—H8AA120.4C9B—C8B—H8BA120.4
C7A—C8A—H8AA120.4C7B—C8B—H8BA120.4
C8A—C9A—C10A127.2 (3)C8B—C9B—C10B126.4 (3)
C8A—C9A—H9AA116.4C8B—C9B—H9BA116.8
C10A—C9A—H9AA116.4C10B—C9B—H9BA116.8
C11A—C10A—C9A124.7 (2)C11B—C10B—C9B125.3 (3)
C11A—C10A—S1A110.81 (19)C11B—C10B—S1B111.1 (2)
C9A—C10A—S1A124.4 (2)C9B—C10B—S1B123.6 (2)
C10A—C11A—C12A113.9 (2)C10B—C11B—C12B113.0 (3)
C10A—C11A—H11A123.1C10B—C11B—H11B123.5
C12A—C11A—H11A123.1C12B—C11B—H11B123.5
C13A—C12A—C11A110.7 (2)C13B—C12B—C11B111.5 (3)
C13A—C12A—H12A124.7C13B—C12B—H12B124.2
C11A—C12A—H12A124.7C11B—C12B—H12B124.2
C12A—C13A—S1A113.5 (2)C12B—C13B—S1B113.7 (2)
C12A—C13A—Br1A125.4 (2)C12B—C13B—Br1B125.9 (2)
S1A—C13A—Br1A121.06 (15)S1B—C13B—Br1B120.42 (17)
C6A—C1A—C2A—C3A0.9 (4)C6B—C1B—C2B—C3B0.2 (4)
C1A—C2A—C3A—C4A1.1 (4)C1B—C2B—C3B—C4B0.6 (4)
C1A—C2A—C3A—N1A178.6 (2)C1B—C2B—C3B—N1B179.7 (3)
O2A—N1A—C3A—C2A7.8 (4)O2B—N1B—C3B—C4B172.9 (3)
O3A—N1A—C3A—C2A171.1 (3)O3B—N1B—C3B—C4B7.1 (4)
O2A—N1A—C3A—C4A172.4 (3)O2B—N1B—C3B—C2B7.4 (4)
O3A—N1A—C3A—C4A8.7 (4)O3B—N1B—C3B—C2B172.6 (3)
C2A—C3A—C4A—C5A1.3 (4)C2B—C3B—C4B—C5B1.8 (4)
N1A—C3A—C4A—C5A178.5 (2)N1B—C3B—C4B—C5B178.6 (3)
C3A—C4A—C5A—C6A0.5 (4)C3B—C4B—C5B—C6B2.5 (4)
C2A—C1A—C6A—C5A2.6 (4)C2B—C1B—C6B—C5B1.0 (4)
C2A—C1A—C6A—C7A175.3 (2)C2B—C1B—C6B—C7B179.9 (3)
C4A—C5A—C6A—C1A2.4 (4)C4B—C5B—C6B—C1B2.2 (4)
C4A—C5A—C6A—C7A175.6 (3)C4B—C5B—C6B—C7B178.7 (3)
C1A—C6A—C7A—O1A162.4 (3)C1B—C6B—C7B—O1B175.8 (3)
C5A—C6A—C7A—O1A15.5 (4)C5B—C6B—C7B—O1B5.0 (4)
C1A—C6A—C7A—C8A16.6 (4)C1B—C6B—C7B—C8B4.1 (4)
C5A—C6A—C7A—C8A165.4 (2)C5B—C6B—C7B—C8B175.1 (2)
O1A—C7A—C8A—C9A9.6 (4)O1B—C7B—C8B—C9B4.2 (4)
C6A—C7A—C8A—C9A169.4 (3)C6B—C7B—C8B—C9B175.9 (3)
C7A—C8A—C9A—C10A179.1 (3)C7B—C8B—C9B—C10B177.7 (3)
C8A—C9A—C10A—C11A176.1 (3)C8B—C9B—C10B—C11B176.9 (3)
C8A—C9A—C10A—S1A1.6 (4)C8B—C9B—C10B—S1B1.4 (5)
C13A—S1A—C10A—C11A1.1 (2)C13B—S1B—C10B—C11B0.1 (2)
C13A—S1A—C10A—C9A176.9 (3)C13B—S1B—C10B—C9B178.6 (3)
C9A—C10A—C11A—C12A176.9 (3)C9B—C10B—C11B—C12B177.9 (3)
S1A—C10A—C11A—C12A1.1 (4)S1B—C10B—C11B—C12B0.5 (4)
C10A—C11A—C12A—C13A0.5 (4)C10B—C11B—C12B—C13B1.1 (4)
C11A—C12A—C13A—S1A0.3 (4)C11B—C12B—C13B—S1B1.2 (4)
C11A—C12A—C13A—Br1A179.9 (2)C11B—C12B—C13B—Br1B176.9 (2)
C10A—S1A—C13A—C12A0.8 (3)C10B—S1B—C13B—C12B0.8 (3)
C10A—S1A—C13A—Br1A179.61 (19)C10B—S1B—C13B—Br1B177.47 (19)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C5A—H5AA···O1Bi0.932.593.284 (4)132
C9A—H9AA···O1A0.932.442.787 (3)102
C2B—H2BA···O2Aii0.932.583.313 (4)136
C8B—H8BA···S1B0.932.883.220 (3)103
C9B—H9BA···O1B0.932.452.791 (4)102
C12A—H12A···O3Aiii0.932.443.362 (4)171
C12B—H12B···O3Biv0.932.473.392 (4)174
Symmetry codes: (i) x+2, y, z; (ii) x, y, z+1/2; (iii) x+1/2, y+1/2, z; (iv) x1/2, y+1/2, z.
 

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