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

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890

2,2,2-Tri­methyl-N-(4-methyl­phenyl­sulfon­yl)acetamide

aDepartment of Chemistry, Mangalore University, Mangalagangotri 574 199, Mangalore, India, and bInstitute of Materials Science, Darmstadt University of Technology, Petersenstrasse 23, D-64287 Darmstadt, Germany
*Correspondence e-mail: gowdabt@yahoo.com

(Received 7 June 2008; accepted 12 June 2008; online 19 June 2008)

The bond parameters and conformations of the N—H and C=O bonds of the SO2—NH—CO—C group in the title compound, C12H17NO3S, anti to each other, are similar to what has been observed in related structures. The benzene ring and the SO2—NH—CO—C group make a dihedral angle of 71.2 (1)°. Inter­molecular N—H⋯O hydrogen bonds link the mol­ecules into centrosymmetric dimers.

Related literature

For related literature, see: Gowda et al. (2003[Gowda, B. T., Jyothi, K., Kozisek, J. & Fuess, H. (2003). Z. Naturforsch. Teil A, 58, 656-660.], 2007[Gowda, B. T., Svoboda, I., Paulus, H. & Fuess, H. (2007). Z. Naturforsch. Teil A, 62, 331-337.], 2008[Gowda, B. T., Foro, S., Sowmya, B. P., Nirmala, P. G. & Fuess, H. (2008). Acta Cryst. E64. Submitted.]).

[Scheme 1]

Experimental

Crystal data
  • C12H17NO3S

  • Mr = 255.34

  • Triclinic, [P \overline 1]

  • a = 6.695 (1) Å

  • b = 8.953 (2) Å

  • c = 12.040 (2) Å

  • α = 80.21 (1)°

  • β = 78.51 (1)°

  • γ = 88.98 (1)°

  • V = 696.8 (2) Å3

  • Z = 2

  • Mo Kα radiation

  • μ = 0.23 mm−1

  • T = 299 (2) K

  • 0.50 × 0.32 × 0.10 mm

Data collection
  • Oxford Diffraction Xcalibur diffractometer with Sapphire CCD detector

  • Absorption correction: multi-scan (CrysAlis RED; Oxford Diffraction, 2007[Oxford Diffraction (2007). CrysAlis CCD and CrysAlis RED. Oxford Diffraction Ltd, Abingdon, Oxfordshire, England.]) Tmin = 0.894, Tmax = 0.978

  • 8562 measured reflections

  • 2827 independent reflections

  • 1947 reflections with I > 2σ(I)

  • Rint = 0.023

Refinement
  • R[F2 > 2σ(F2)] = 0.043

  • wR(F2) = 0.142

  • S = 1.02

  • 2827 reflections

  • 182 parameters

  • 3 restraints

  • H atoms treated by a mixture of independent and constrained refinement

  • Δρmax = 0.33 e Å−3

  • Δρmin = −0.34 e Å−3

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A D—H H⋯A DA D—H⋯A
N1—H1N⋯O1i 0.79 (3) 2.19 (3) 2.955 (2) 164 (3)
Symmetry code: (i) -x, -y+2, -z+2.

Data collection: CrysAlis CCD (Oxford Diffraction, 2007[Oxford Diffraction (2007). CrysAlis CCD and CrysAlis RED. Oxford Diffraction Ltd, Abingdon, Oxfordshire, England.]); cell refinement: CrysAlis RED (Oxford Diffraction, 2007[Oxford Diffraction (2007). CrysAlis CCD and CrysAlis RED. Oxford Diffraction Ltd, Abingdon, Oxfordshire, England.]); data reduction: CrysAlis RED; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: PLATON (Spek, 2003[Spek, A. L. (2003). J. Appl. Cryst. 36, 7-13.]); software used to prepare material for publication: SHELXL97.

Supporting information


Comment top

The present work is a part of a study of the substituent effects on the solid state geometries of N–(aryl)–sulfonamides and substituted amides. The conformations of the N—H and C=O bonds of the SO2—NH—CO—C group in N–(4–methylphenylsulfonyl)–2,2,2–trimethylacetamide, (I), are anti– to each other (Fig. 1), similar to that observed in N–(phenylsulfonyl)–2,2,2–trimethylacetamide, II, (Gowda et al., 2008). The bond parameters in I are similar to those in II, N–(aryl)–2,2,2–trimethylacetamides (Gowda et al., 2007) and 4–methylbenzenesulfonamide (Gowda et al., 2003). The packing diagram of molecules I shows the intermolecular hydrogen bonds N1—H1N···O1i which link the molecules into centrosymmetric dimers (Fig. 2). Symmetry code: (i) -x, -y+2, -z+2.

Related literature top

For related literature, see: Gowda et al. (2003, 2007, 2008).

Experimental top

The title compound was prepared by refluxing 4–methylbenzenesulfonamide with excess pivalyl chloride for about an hour on a water bath. The reaction mixture was cooled and poured into ice cold water. The resulting solid was separated, washed thoroughly with water and dissolved in warm sodium hydrogen carbonate solution. The title compound was precipitated by acidifying the filtered solution with glacial acetic acid. It was filtered, dried and recrystallized from ethanol. The purity of the compound was checked by determining its melting point. It was characterized by recording its IR– and NMR–spectra. Single crystals of the title compound were obtained from an ethanolic solution and used for X–ray diffraction studies at room temperature.

Refinement top

The H atom from NH–group was located in difference map and its positional parameters were refined freely with N—H = 0.79 (3)Å. The other H atoms were positioned with idealized geometry using a riding model with C—H = 0.93–0.96Å. All H atoms were refined with isotropic displacement parameters (set to 1.2 times of the Ueq of the parent atom).

The C9, C10 and C11 of the tert–butyl group are disordered and were refined using a split model with site–occupation factors 0.5:0.5. The C—C bond distances in the disordered groups were restrained to be equal.

Computing details top

Data collection: CrysAlis CCD (Oxford Diffraction, 2007); cell refinement: CrysAlis RED (Oxford Diffraction, 2007); data reduction: CrysAlis RED (Oxford Diffraction, 2007); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: PLATON (Spek, 2003); software used to prepare material for publication: SHELXS97 (Sheldrick, 2008).

Figures top
[Figure 1] Fig. 1. Molecular structure of the title compound, showing the atom labeling scheme. The displacement ellipsoids are drawn at the 50% probability level. H atoms are represented as small spheres of arbitrary radii. Only one part of disordered moiety is shown.
[Figure 2] Fig. 2. Molecular packing of the title compound with hydrogen bonding shown as dashed lines. Symmetry code: (i) -x, -y+2, -z+2.
2,2,2-Trimethyl-N-(4-methylphenylsulfonyl)acetamide top
Crystal data top
C12H17NO3SZ = 2
Mr = 255.34F(000) = 272
Triclinic, P1Dx = 1.217 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 6.695 (1) ÅCell parameters from 1734 reflections
b = 8.953 (2) Åθ = 2.3–28.0°
c = 12.040 (2) ŵ = 0.23 mm1
α = 80.21 (1)°T = 299 K
β = 78.51 (1)°Plate, colourless
γ = 88.98 (1)°0.50 × 0.32 × 0.10 mm
V = 696.8 (2) Å3
Data collection top
Oxford Diffraction Xcalibur
diffractometer with Sapphire CCD detector
2827 independent reflections
Radiation source: Fine–focus sealed tube1947 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.023
ω and ϕ scansθmax = 26.4°, θmin = 2.3°
Absorption correction: multi-scan
(CrysAlis RED; Oxford Diffraction, 2007)
h = 88
Tmin = 0.894, Tmax = 0.978k = 1111
8562 measured reflectionsl = 1415
Refinement top
Refinement on F2Primary atom site location: Direct
Least-squares matrix: FullSecondary atom site location: Difmap
R[F2 > 2σ(F2)] = 0.043Hydrogen site location: Geom
wR(F2) = 0.142H atoms treated by a mixture of independent and constrained refinement
S = 1.02 w = 1/[σ2(Fo2) + (0.0808P)2 + 0.1297P]
where P = (Fo2 + 2Fc2)/3
2827 reflections(Δ/σ)max = 0.038
182 parametersΔρmax = 0.33 e Å3
3 restraintsΔρmin = 0.34 e Å3
Crystal data top
C12H17NO3Sγ = 88.98 (1)°
Mr = 255.34V = 696.8 (2) Å3
Triclinic, P1Z = 2
a = 6.695 (1) ÅMo Kα radiation
b = 8.953 (2) ŵ = 0.23 mm1
c = 12.040 (2) ÅT = 299 K
α = 80.21 (1)°0.50 × 0.32 × 0.10 mm
β = 78.51 (1)°
Data collection top
Oxford Diffraction Xcalibur
diffractometer with Sapphire CCD detector
2827 independent reflections
Absorption correction: multi-scan
(CrysAlis RED; Oxford Diffraction, 2007)
1947 reflections with I > 2σ(I)
Tmin = 0.894, Tmax = 0.978Rint = 0.023
8562 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0433 restraints
wR(F2) = 0.142H atoms treated by a mixture of independent and constrained refinement
S = 1.02Δρmax = 0.33 e Å3
2827 reflectionsΔρmin = 0.34 e Å3
182 parameters
Special details top

Experimental. CrysAlis RED, Oxford Diffraction Ltd., 2007 Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.

Geometry. All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'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*/UeqOcc. (<1)
C10.1874 (3)0.8846 (2)0.75440 (18)0.0516 (5)
C20.3230 (3)0.8778 (3)0.65199 (19)0.0594 (6)
H20.46090.89880.64530.071*
C30.2531 (4)0.8401 (3)0.5608 (2)0.0683 (6)
H30.34450.83600.49230.082*
C40.0483 (4)0.8079 (3)0.5687 (2)0.0709 (7)
C50.0839 (4)0.8185 (3)0.6716 (3)0.0791 (8)
H50.22210.79870.67830.095*
C60.0172 (3)0.8569 (3)0.7630 (2)0.0678 (6)
H60.10930.86430.83070.081*
C70.3855 (4)1.2106 (3)0.7911 (2)0.0639 (6)
C80.3541 (4)1.3752 (3)0.8054 (2)0.0701 (7)
C9A0.1437 (11)1.4233 (10)0.7939 (9)0.100 (3)0.50
H9A0.04641.36180.85240.120*0.50
H9B0.12191.41130.71950.120*0.50
H9C0.12741.52780.80250.120*0.50
C10A0.5538 (16)1.4617 (14)0.7800 (13)0.177 (7)0.50
H10A0.62431.45560.70330.213*0.50
H10B0.63601.41870.83380.213*0.50
H10C0.52811.56600.78670.213*0.50
C11A0.3989 (18)1.3949 (12)0.9168 (9)0.196 (10)0.50
H11A0.53741.36720.91930.235*0.50
H11B0.30841.33130.97770.235*0.50
H11C0.38021.49890.92620.235*0.50
C9B0.1959 (18)1.4340 (12)0.7407 (9)0.261 (14)0.50
H9D0.07031.37900.77330.314*0.50
H9E0.23751.42340.66150.314*0.50
H9F0.17661.53930.74600.314*0.50
C10B0.4889 (17)1.4674 (8)0.6990 (9)0.127 (4)0.50
H10D0.44841.44640.63100.152*0.50
H10E0.62871.44000.69710.152*0.50
H10F0.47421.57350.70220.152*0.50
C11B0.2711 (16)1.3977 (11)0.9308 (7)0.099 (3)0.50
H11D0.36801.36060.97750.119*0.50
H11E0.14441.34270.95990.119*0.50
H11F0.24941.50350.93280.119*0.50
C120.0265 (5)0.7606 (4)0.4700 (3)0.1004 (10)
H12A0.04570.65250.48400.120*
H12B0.07220.79040.40020.120*
H12C0.15360.80870.46270.120*
N10.2641 (3)1.1039 (2)0.87314 (17)0.0608 (5)
H1N0.171 (4)1.125 (3)0.919 (2)0.073*
O10.1327 (3)0.85718 (17)0.97613 (13)0.0685 (5)
O20.4839 (2)0.87466 (19)0.86454 (14)0.0702 (5)
O30.5046 (3)1.1703 (2)0.71397 (17)0.0929 (6)
S10.27716 (8)0.91984 (6)0.87499 (4)0.0559 (2)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C10.0458 (11)0.0419 (10)0.0596 (12)0.0075 (8)0.0015 (9)0.0024 (9)
C20.0520 (12)0.0601 (13)0.0604 (13)0.0020 (10)0.0012 (10)0.0089 (10)
C30.0722 (16)0.0665 (15)0.0615 (14)0.0057 (12)0.0020 (12)0.0114 (11)
C40.0814 (17)0.0575 (14)0.0755 (16)0.0051 (12)0.0248 (14)0.0057 (12)
C50.0550 (14)0.0894 (19)0.0890 (19)0.0024 (13)0.0138 (14)0.0047 (15)
C60.0512 (13)0.0781 (16)0.0664 (15)0.0075 (11)0.0001 (11)0.0052 (12)
C70.0625 (14)0.0571 (13)0.0663 (14)0.0074 (11)0.0023 (12)0.0058 (11)
C80.0807 (17)0.0509 (13)0.0763 (16)0.0078 (12)0.0163 (13)0.0027 (11)
C9A0.086 (4)0.065 (4)0.154 (8)0.005 (3)0.031 (5)0.022 (4)
C10A0.134 (8)0.151 (9)0.228 (14)0.094 (7)0.083 (9)0.110 (10)
C11A0.37 (3)0.084 (6)0.205 (15)0.025 (12)0.223 (19)0.044 (8)
C9B0.51 (3)0.132 (10)0.268 (18)0.156 (15)0.32 (2)0.113 (11)
C10B0.138 (8)0.044 (3)0.164 (9)0.010 (4)0.031 (7)0.006 (4)
C11B0.152 (8)0.055 (4)0.091 (5)0.010 (4)0.010 (5)0.023 (4)
C120.124 (3)0.088 (2)0.099 (2)0.0007 (19)0.048 (2)0.0169 (17)
N10.0642 (12)0.0479 (10)0.0605 (11)0.0012 (8)0.0108 (9)0.0086 (8)
O10.0794 (11)0.0538 (9)0.0583 (9)0.0055 (8)0.0097 (8)0.0015 (7)
O20.0580 (10)0.0762 (11)0.0751 (11)0.0184 (8)0.0113 (8)0.0134 (8)
O30.0956 (14)0.0753 (12)0.0865 (13)0.0155 (10)0.0340 (11)0.0132 (10)
S10.0568 (4)0.0479 (3)0.0556 (3)0.0077 (2)0.0021 (2)0.0040 (2)
Geometric parameters (Å, º) top
C1—C61.377 (3)C9A—H9C0.9600
C1—C21.388 (3)C10A—H10A0.9600
C1—S11.755 (2)C10A—H10B0.9600
C2—C31.370 (3)C10A—H10C0.9600
C2—H20.9300C11A—H11A0.9600
C3—C41.387 (4)C11A—H11B0.9600
C3—H30.9300C11A—H11C0.9600
C4—C51.388 (4)C9B—H9D0.9600
C4—C121.503 (4)C9B—H9E0.9600
C5—C61.363 (4)C9B—H9F0.9600
C5—H50.9300C10B—H10D0.9600
C6—H60.9300C10B—H10E0.9600
C7—O31.199 (3)C10B—H10F0.9600
C7—N11.391 (3)C11B—H11D0.9600
C7—C81.519 (3)C11B—H11E0.9600
C8—C9B1.474 (8)C11B—H11F0.9600
C8—C11A1.471 (8)C12—H12A0.9600
C8—C9A1.492 (7)C12—H12B0.9600
C8—C10A1.508 (8)C12—H12C0.9600
C8—C10B1.530 (7)N1—S11.645 (2)
C8—C11B1.548 (8)N1—H1N0.79 (3)
C9A—H9A0.9600O1—S11.4322 (15)
C9A—H9B0.9600O2—S11.4226 (16)
C6—C1—C2119.9 (2)H9C—C9A—H9D124.4
C6—C1—S1119.81 (17)C8—C9A—H9F99.8
C2—C1—S1120.19 (17)H9A—C9A—H9F143.6
C3—C2—C1119.7 (2)H9B—C9A—H9F79.1
C3—C2—H2120.1H9C—C9A—H9F38.1
C1—C2—H2120.1H9D—C9A—H9F115.2
C2—C3—C4121.2 (2)C8—C10A—H10A109.5
C2—C3—H3119.4C8—C10A—H10B109.5
C4—C3—H3119.4H10A—C10A—H10B109.5
C3—C4—C5117.6 (2)C8—C10A—H10C109.5
C3—C4—C12121.0 (3)H10A—C10A—H10C109.5
C5—C4—C12121.3 (3)H10B—C10A—H10C109.5
C6—C5—C4122.0 (2)C8—C11A—H11A109.5
C6—C5—H5119.0C8—C11A—H11B109.5
C4—C5—H5119.0H11A—C11A—H11B109.5
C5—C6—C1119.5 (2)C8—C11A—H11C109.5
C5—C6—H6120.3H11A—C11A—H11C109.5
C1—C6—H6120.3H11B—C11A—H11C109.5
O3—C7—N1119.9 (2)C8—C9B—H9D109.6
O3—C7—C8123.8 (2)C8—C9B—H9E110.1
N1—C7—C8116.3 (2)H9D—C9B—H9E109.5
C9B—C8—C11A133.9 (8)C8—C9B—H9F108.6
C9B—C8—C9A25.6 (7)H9D—C9B—H9F109.5
C11A—C8—C9A112.1 (6)H9E—C9B—H9F109.5
C9B—C8—C10A118.0 (9)C8—C10B—H10D109.5
C11A—C8—C10A73.2 (8)C8—C10B—H10E109.5
C9A—C8—C10A132.1 (7)H10D—C10B—H10E109.5
C9B—C8—C7106.9 (4)C8—C10B—H10F109.5
C11A—C8—C7109.0 (4)H10D—C10B—H10F109.5
C9A—C8—C7110.8 (4)H10E—C10B—H10F109.5
C10A—C8—C7111.7 (5)C8—C11B—H11D109.5
C9B—C8—C10B80.5 (7)C8—C11B—H11E109.5
C11A—C8—C10B115.8 (8)H11D—C11B—H11E109.5
C9A—C8—C10B103.5 (6)C8—C11B—H11F109.5
C10A—C8—C10B44.0 (6)H11D—C11B—H11F109.5
C7—C8—C10B105.3 (4)H11E—C11B—H11F109.5
C9B—C8—C11B105.6 (7)C4—C12—H12A109.5
C11A—C8—C11B32.2 (6)C4—C12—H12B109.5
C9A—C8—C11B81.3 (6)H12A—C12—H12B109.5
C10A—C8—C11B100.5 (6)C4—C12—H12C109.5
C7—C8—C11B114.1 (4)H12A—C12—H12C109.5
C10B—C8—C11B135.7 (5)H12B—C12—H12C109.5
C8—C9A—H9A109.5C7—N1—S1124.02 (17)
C8—C9A—H9B109.5C7—N1—H1N124.0 (19)
H9A—C9A—H9B109.5S1—N1—H1N111.5 (19)
C8—C9A—H9C109.5O2—S1—O1118.88 (10)
H9A—C9A—H9C109.5O2—S1—N1109.50 (10)
H9B—C9A—H9C109.5O1—S1—N1103.95 (9)
C8—C9A—H9D125.1O2—S1—C1108.79 (10)
H9A—C9A—H9D64.0O1—S1—C1108.34 (10)
H9B—C9A—H9D45.5N1—S1—C1106.71 (10)
C6—C1—C2—C31.5 (3)N1—C7—C8—C10A139.4 (7)
S1—C1—C2—C3175.60 (17)O3—C7—C8—C10B4.5 (6)
C1—C2—C3—C40.2 (4)N1—C7—C8—C10B174.6 (5)
C2—C3—C4—C51.3 (4)O3—C7—C8—C11B154.7 (5)
C2—C3—C4—C12177.6 (2)N1—C7—C8—C11B26.3 (5)
C3—C4—C5—C60.9 (4)O3—C7—N1—S12.2 (4)
C12—C4—C5—C6178.0 (2)C8—C7—N1—S1178.70 (17)
C4—C5—C6—C10.8 (4)C7—N1—S1—O249.4 (2)
C2—C1—C6—C52.0 (3)C7—N1—S1—O1177.46 (19)
S1—C1—C6—C5175.16 (18)C7—N1—S1—C168.1 (2)
O3—C7—C8—C9B88.9 (6)C6—C1—S1—O2152.78 (18)
N1—C7—C8—C9B90.1 (6)C2—C1—S1—O224.3 (2)
O3—C7—C8—C11A120.5 (6)C6—C1—S1—O122.2 (2)
N1—C7—C8—C11A60.5 (6)C2—C1—S1—O1154.90 (17)
O3—C7—C8—C9A115.7 (5)C6—C1—S1—N189.16 (19)
N1—C7—C8—C9A63.3 (5)C2—C1—S1—N193.72 (18)
O3—C7—C8—C10A41.6 (8)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1—H1N···O1i0.79 (3)2.19 (3)2.955 (2)164 (3)
Symmetry code: (i) x, y+2, z+2.

Experimental details

Crystal data
Chemical formulaC12H17NO3S
Mr255.34
Crystal system, space groupTriclinic, P1
Temperature (K)299
a, b, c (Å)6.695 (1), 8.953 (2), 12.040 (2)
α, β, γ (°)80.21 (1), 78.51 (1), 88.98 (1)
V3)696.8 (2)
Z2
Radiation typeMo Kα
µ (mm1)0.23
Crystal size (mm)0.50 × 0.32 × 0.10
Data collection
DiffractometerOxford Diffraction Xcalibur
diffractometer with Sapphire CCD detector
Absorption correctionMulti-scan
(CrysAlis RED; Oxford Diffraction, 2007)
Tmin, Tmax0.894, 0.978
No. of measured, independent and
observed [I > 2σ(I)] reflections
8562, 2827, 1947
Rint0.023
(sin θ/λ)max1)0.625
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.043, 0.142, 1.02
No. of reflections2827
No. of parameters182
No. of restraints3
H-atom treatmentH atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å3)0.33, 0.34

Computer programs: CrysAlis CCD (Oxford Diffraction, 2007), CrysAlis RED (Oxford Diffraction, 2007), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), PLATON (Spek, 2003).

Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1—H1N···O1i0.79 (3)2.19 (3)2.955 (2)164 (3)
Symmetry code: (i) x, y+2, z+2.
 

Acknowledgements

BTG thanks the Alexander von Humboldt Foundation, Bonn, Germany, for extensions of his research fellowship.

References

First citationGowda, B. T., Foro, S., Sowmya, B. P., Nirmala, P. G. & Fuess, H. (2008). Acta Cryst. E64. Submitted.  CrossRef IUCr Journals Google Scholar
First citationGowda, B. T., Jyothi, K., Kozisek, J. & Fuess, H. (2003). Z. Naturforsch. Teil A, 58, 656–660.  CAS Google Scholar
First citationGowda, B. T., Svoboda, I., Paulus, H. & Fuess, H. (2007). Z. Naturforsch. Teil A, 62, 331–337.  CAS Google Scholar
First citationOxford Diffraction (2007). CrysAlis CCD and CrysAlis RED. Oxford Diffraction Ltd, Abingdon, Oxfordshire, England.  Google Scholar
First citationSheldrick, G. M. (2008). Acta Cryst. A64, 112–122.  Web of Science CrossRef CAS IUCr Journals Google Scholar
First citationSpek, A. L. (2003). J. Appl. Cryst. 36, 7–13.  Web of Science CrossRef CAS IUCr Journals Google Scholar

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