Ultramafic rocks of the Karighatta schist belt display spinifex texture and komatiitic chemistry indicating their volcanic origin

Shankar, B.N.

Srikantappa, C.

Vasudev, V.N.

Shankar, B. N.

Vasudev, V. N.

University of Mysore - Digital Repository of Research, Innovation and Scholarship (ePrints@UoM)

2-(3,4-Dimethoxyphenyl)-4-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepineB. C. Manjunath,a M. Manjula,a K. R. Raghavendra,bS. Shashikanth,b K. Ajay Kumarc and N. K. Lokanatha*aDepartment of Studies in Physics, Manasagangotri, University of Mysore, Mysore570 006, India, bDepartment of Studies in Chemistry, Manasagangotri, University ofMysore, Mysore 570 006, India, and cPost Graduate Department of Chemistry,Yuvaraja’s College, University of Mysore, Mysore 570 006, IndiaCorrespondence e-mail: lokanath@physics.uni-mysore.ac.inReceived 19 December 2013; accepted 25 December 2013Key indicators: single-crystal X-ray study; T = 296 K; mean (C–C) = 0.006 A˚;R factor = 0.058; wR factor = 0.180; data-to-parameter ratio = 12.7.In the title compound, C21H19NO2S2, the seven-memberedthiazepine ring adopts a slightly distorted twist boatconformation. The dihedral angle between the benzene ringsis 67.4 (2). The mean plane of the thiophene ring is twisted by59.3 (2) and 87.7 (2) from the mean planes of the benezenerings. In the crystal, inversion dimers linked by pairs of C—H  O hydrogen bonds generate R22(20) loops.Related literatureFor the biological activity of benzophenone derivatives, see:Cutignano et al. (2003); Sanjeeva et al. (2008). For a relatedstructure, see: Manjula et al. (2013).ExperimentalCrystal dataC21H19NO2S2Mr = 381.51Triclinic, P1a = 8.6188 (11) A˚b = 9.7463 (15) A˚c = 11.9018 (16) A˚ = 100.308 (10) = 107.921 (9) = 95.163 (11)V = 924.6 (2) A˚3Z = 2Cu K radiation = 2.73 mm1T = 296 K0.21  0.20  0.20 mmData collectionBruker X8 Proteum diffractometerAbsorption correction: multi-scan(SADABS; Bruker, 2013)Tmin = 0.598, Tmax = 0.6117560 measured reflections2999 independent reflections2093 reflections with I > 2(I)Rint = 0.051RefinementR[F 2 > 2(F 2)] = 0.058wR(F 2) = 0.180S = 1.072999 reflections237 parametersH-atom parameters constrainedmax = 0.29 e A˚3min = 0.39 e A˚3Table 1Hydrogen-bond geometry (A˚, ).D—H  A D—H H  A D  A D—H  AC4—H4  O23i 0.93 2.54 3.457 (5) 169Symmetry code: (i) x;y þ 1;zþ 1.Data collection: APEX2 (Bruker, 2013); cell refinement: SAINT(Bruker, 2013); data reduction: SAINT; program(s) used to solvestructure: SHELXS97 (Sheldrick, 2008); program(s) used to refinestructure: SHELXL97 (Sheldrick, 2008); molecular graphics:Mercury (Macrae et al., 2006); software used to prepare material forpublication: Mercury.The authors thank the IOE and the University of Mysorefor providing the single-crystal X-ray diffractometer facility.Supplementary data and figures for this paper are available from theIUCr electronic archives (Reference: HB7177).ReferencesBruker (2013). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison,Wisconsin, USA.Cutignano, A., Tramice, A., De Caro, S., Villani, G., Cimino, G. & Fontana, A.(2003). Angew. Chem. Int. Ed. 42, 2633–2633.Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., Taylor,R., Towler, M. & van de Streek, J. (2006). J. Appl. Cryst. 39, 453–457.Manjula, M., Manjunath, B. C., Renuka, N., Ajay Kumar, K. & Lokanath, N. K.(2013). Acta Cryst. E69, o1608.Sanjeeva, R. C., Purnachandra, R. G., Nagaraj, A. & Srinivas, A. (2008). Org.Commun. 1, 84–94.Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122.organic compoundsActa Cryst. (2014). E70, o121 doi:10.1107/S1600536813034612 Manjunath et al. o121Acta Crystallographica Section EStructure ReportsOnlineISSN 1600-5368supplementary materialssup-1Acta Cryst. (2014). E70, o121    supplementary materialsActa Cryst. (2014). E70, o121    [doi:10.1107/S1600536813034612]2-(3,4-Dimethoxyphenyl)-4-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepineB. C. Manjunath, M. Manjula, K. R. Raghavendra, S. Shashikanth, K. Ajay Kumar and N. K. Lokanath1. Comment Seven membered ring compounds are receiving significant attention because of the existence of their structural units in some natural products (Cutignano et al., 2003). Heterocycles containing the 1,4-thiazepine ring is one of important moieties in nitrogen and sulfur containing heterocycles and has been widely used as key building block for pharmaceutical agents as well as biologically active compounds. Benzothiazepine and its derivatives show a wide spectrum of pharmacological activities such as antifeedent, coronary vasodilatory, tranquilizer, antidepressant, CNS stimulant, antihypertensive, calcium channel blocker, antiulcer, calcium antagonist and antimicrobial agents (Sanjeeva et al., 2008). The C6—N12 is shorter than an usual C—N single bond [1.294 Å compared to 1.416 Å] and the C10—S9 bond is shorter than an usual C—S single bond [1.760 Å compared to 1.82 Å]. The bond lengths and angles do not show large deviations and are comparable with those reported for a similar structure (Manjula et al., 2013). The atoms C7, C8, C10 and C11 present in the central thiazepine ring forms a basal plane and the S9 atom as the bow, representing the boat conformation of thiazepine ring.In the title compound, the dihedral angle between the mean planes of the benzene rings is 67.40°. The mean plane of the thiazepine ring is twisted by 36.17° and 77.93° from the mean planes of two benezene rings.2. Experimental A mixture of 2-aminothiophenol (4 mmol) with 3-(3,4-dimethoxyphenyl)-1- (thiophen-2-yl)prop-2-en-1-one (4 mmol) and 3–4 drops of conc. Hydrochloric acid in methanol (10 ml) was heated with stirring at 473 K for 4 h. The reaction was monitored by TLC (hexane/chloroform). After the completion of the reaction, the mixture was extracted in to ether (30 ml), washed successively with cold and dilute hydrochloric acid and water. The solvent was evaporated to dryness, the solid obtained was crystallized from 95° ethyl alcohol solution to get pale yellow needles of the title compound in 90° yield.3. Refinement All hydrogen atoms were located geometrically with C—H = 0.93–0.97) Å and allowed to ride on their parent atoms with Uiso(H) = 1.2Ueq(aromatic C).Computing details Data collection: APEX2 (Bruker, 2013); cell refinement: SAINT (Bruker, 2013); data reduction: SAINT (Bruker, 2013); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: Mercury (Macrae et al., 2006); software used to prepare material for publication: Mercury (Macrae et al., 2006).supplementary materialssup-2Acta Cryst. (2014). E70, o121    Figure 1ORTEP diagram of the title molecule with 50% probability ellipsoids. Figure 2Packing diagram of molecule, viewed along the crystallographic b axis. Dotted lines represents intermolecular hydrogen bonding. 2-(3,4-Dimethoxyphenyl)-4-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepine Crystal data C21H19NO2S2Mr = 381.51Triclinic, P1Hall symbol: -P 1a = 8.6188 (11) Åb = 9.7463 (15) Åc = 11.9018 (16) Åα = 100.308 (10)°β = 107.921 (9)°γ = 95.163 (11)°V = 924.6 (2) Å3Z = 2F(000) = 400Dx = 1.370 Mg m−3supplementary materialssup-3Acta Cryst. (2014). E70, o121    Cu Kα radiation, λ = 1.54178 ÅCell parameters from 2999 reflectionsθ = 4.0–64.8°µ = 2.73 mm−1T = 296 KNeedle, light yellow0.21 × 0.20 × 0.20 mmData collection Bruker X8 Proteum diffractometerRadiation source: Bruker MicroStar microfocus rotating anodeHelios multilayer optics monochromatorDetector resolution: 10.7 pixels mm-1φ and ω scansAbsorption correction: multi-scan (SADABS; Bruker, 2013)Tmin = 0.598, Tmax = 0.6117560 measured reflections2999 independent reflections2093 reflections with I > 2σ(I)Rint = 0.051θmax = 64.8°, θmin = 4.0°h = −10→9k = −11→9l = −7→13Refinement Refinement on F2Least-squares matrix: fullR[F2 > 2σ(F2)] = 0.058wR(F2) = 0.180S = 1.072999 reflections237 parameters0 restraintsPrimary atom site location: structure-invariant direct methodsSecondary atom site location: difference Fourier mapHydrogen site location: inferred from neighbouring sitesH-atom parameters constrainedW = 1/[Σ2(FO2) + (0.0632P)2 + 0.4716P] WHERE P = (FO2 + 2FC2)/3(Δ/σ)max < 0.001Δρmax = 0.29 e Å−3Δρmin = −0.39 e Å−3Special details Experimental. m.p. 371 K. 1H NMR (CDCl3): δ 2.1 (d, 2H, C3—H), 3.80 (t, 1H, C2—H), 3.82 (s, 6H, -2OCH3), 6.52 (d, 1H, Ar—H), 6.64 (s, 1H, Ar—H), 7.0 (d, 1H, Ar—H), 7.1 (t, 1H, C5—H 5 m ring), 7.2–7.4 (m, 4H, Ar—H), 7.18 (t, 1H, C4—H 5 m ring), 7.46 (d, 1H, C3—H 5 m ring). Anal. Calcd. for C21H19NO2S2: C 66.11, H 5.02, N 3.67°; found C 66.10, H 4.98, N 3.68°. Mass FAB+ (NBA): 382 (M + 1, 100°).Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All su's are estimated from the variances of the (full) variance-covariance matrix. The cell e.s.d.'s are taken into account in the estimation of distances, angles and torsion anglesRefinement. Refinement on F2 for ALL reflections except those flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The observed criterion of F2 > σ(F2) is used only for calculating -R-factor-obs 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) x y z Uiso*/UeqS1 0.27208 (13) 0.30975 (11) −0.03322 (9) 0.0585 (4)S9 0.44948 (13) 0.64057 (13) 0.38801 (8) 0.0588 (4)O23 0.1945 (3) 0.6524 (3) 0.7567 (2) 0.0571 (10)O25 −0.0298 (4) 0.8108 (3) 0.7090 (2) 0.0627 (10)N12 0.3407 (4) 0.6027 (3) 0.1072 (3) 0.0497 (10)C2 0.1374 (6) 0.1581 (4) −0.0805 (4) 0.0608 (14)C3 0.0140 (6) 0.1630 (5) −0.0311 (4) 0.0632 (16)C4 0.0329 (5) 0.2921 (4) 0.0500 (3) 0.0523 (12)C5 0.1673 (5) 0.3849 (4) 0.0577 (3) 0.0466 (11)supplementary materialssup-4Acta Cryst. (2014). E70, o121    C6 0.2239 (5) 0.5289 (4) 0.1278 (3) 0.0449 (11)C7 0.1393 (5) 0.5875 (4) 0.2153 (3) 0.0480 (11)C8 0.2257 (5) 0.5754 (4) 0.3433 (3) 0.0449 (11)C10 0.4599 (5) 0.7707 (4) 0.3043 (4) 0.0535 (12)C11 0.4061 (5) 0.7396 (4) 0.1762 (3) 0.0527 (12)C13 0.5351 (5) 0.9073 (5) 0.3660 (4) 0.0701 (17)C14 0.5566 (7) 1.0118 (5) 0.3038 (6) 0.083 (2)C15 0.5020 (7) 0.9803 (5) 0.1812 (6) 0.088 (2)C16 0.4288 (6) 0.8464 (5) 0.1171 (4) 0.0670 (17)C17 0.1517 (4) 0.6436 (4) 0.4359 (3) 0.0431 (11)C18 0.0340 (5) 0.7296 (4) 0.4125 (3) 0.0515 (13)C19 −0.0315 (5) 0.7881 (4) 0.5006 (3) 0.0556 (16)C20 0.0245 (5) 0.7594 (4) 0.6157 (3) 0.0482 (11)C21 0.1444 (5) 0.6730 (4) 0.6401 (3) 0.0444 (11)C22 0.2054 (4) 0.6162 (4) 0.5510 (3) 0.0413 (11)C24 0.3247 (6) 0.5738 (5) 0.7876 (3) 0.0632 (16)C26 −0.1737 (6) 0.8744 (6) 0.6826 (4) 0.0759 (19)H2 0.14610 0.07970 −0.13440 0.0730*H3 −0.07240 0.08940 −0.04890 0.0760*H4 −0.03800 0.31260 0.09370 0.0630*H7A 0.02720 0.53760 0.18850 0.0580*H7B 0.13320 0.68610 0.21410 0.0580*H8 0.21500 0.47440 0.34310 0.0540*H13 0.57160 0.92930 0.45010 0.0840*H14 0.60810 1.10260 0.34610 0.0990*H15 0.51440 1.05060 0.13970 0.1060*H16 0.39390 0.82690 0.03300 0.0800*H18 −0.00340 0.74950 0.33600 0.0620*H19 −0.11190 0.84580 0.48260 0.0660*H22 0.28500 0.55770 0.56850 0.0500*H24A 0.29120 0.47970 0.73860 0.0940*H24B 0.35240 0.57010 0.87140 0.0940*H24C 0.41930 0.61810 0.77380 0.0940*H26A −0.15080 0.96270 0.66130 0.1140*H26B −0.20870 0.89080 0.75250 0.1140*H26C −0.25960 0.81310 0.61620 0.1140*Atomic displacement parameters (Å2) U11 U22 U33 U12 U13 U23S1 0.0629 (7) 0.0656 (7) 0.0458 (6) 0.0136 (5) 0.0226 (5) −0.0012 (5)S9 0.0514 (6) 0.0857 (8) 0.0389 (5) 0.0170 (5) 0.0149 (4) 0.0098 (5)O23 0.0642 (18) 0.090 (2) 0.0267 (13) 0.0294 (15) 0.0199 (12) 0.0196 (13)O25 0.0651 (18) 0.098 (2) 0.0329 (14) 0.0401 (16) 0.0224 (13) 0.0092 (14)N12 0.0572 (19) 0.0571 (19) 0.0366 (16) 0.0108 (15) 0.0210 (15) 0.0044 (14)C2 0.070 (3) 0.056 (2) 0.050 (2) 0.020 (2) 0.013 (2) 0.0028 (19)C3 0.070 (3) 0.055 (2) 0.058 (3) 0.007 (2) 0.011 (2) 0.015 (2)C4 0.058 (2) 0.062 (2) 0.040 (2) 0.0104 (19) 0.0177 (18) 0.0156 (18)C5 0.053 (2) 0.056 (2) 0.0287 (17) 0.0129 (18) 0.0107 (16) 0.0070 (16)C6 0.049 (2) 0.058 (2) 0.0291 (17) 0.0123 (17) 0.0148 (16) 0.0078 (16)supplementary materialssup-5Acta Cryst. (2014). E70, o121    C7 0.052 (2) 0.061 (2) 0.0312 (18) 0.0097 (18) 0.0182 (16) 0.0020 (16)C8 0.053 (2) 0.054 (2) 0.0299 (18) 0.0145 (17) 0.0174 (16) 0.0049 (16)C10 0.048 (2) 0.063 (2) 0.049 (2) 0.0130 (19) 0.0210 (18) 0.0002 (19)C11 0.054 (2) 0.061 (2) 0.047 (2) 0.0086 (19) 0.0264 (19) 0.0046 (19)C13 0.055 (3) 0.074 (3) 0.067 (3) 0.007 (2) 0.019 (2) −0.017 (2)C14 0.087 (4) 0.060 (3) 0.102 (4) 0.004 (3) 0.046 (3) −0.001 (3)C15 0.099 (4) 0.057 (3) 0.132 (5) 0.011 (3) 0.074 (4) 0.020 (3)C16 0.082 (3) 0.066 (3) 0.072 (3) 0.014 (2) 0.048 (3) 0.022 (2)C17 0.048 (2) 0.051 (2) 0.0304 (18) 0.0061 (17) 0.0166 (15) 0.0035 (15)C18 0.067 (3) 0.067 (2) 0.0273 (17) 0.026 (2) 0.0173 (17) 0.0169 (17)C19 0.063 (3) 0.070 (3) 0.038 (2) 0.030 (2) 0.0177 (18) 0.0111 (18)C20 0.053 (2) 0.062 (2) 0.0316 (19) 0.0152 (18) 0.0184 (16) 0.0042 (17)C21 0.048 (2) 0.057 (2) 0.0303 (18) 0.0107 (17) 0.0154 (15) 0.0094 (16)C22 0.048 (2) 0.054 (2) 0.0247 (17) 0.0152 (17) 0.0128 (15) 0.0107 (15)C24 0.068 (3) 0.091 (3) 0.037 (2) 0.032 (2) 0.0165 (19) 0.022 (2)C26 0.062 (3) 0.104 (4) 0.055 (3) 0.034 (3) 0.020 (2) −0.011 (3)Geometric parameters (Å, º) S1—C2 1.685 (5) C17—C22 1.388 (5)S1—C5 1.720 (4) C18—C19 1.397 (6)S9—C8 1.853 (5) C19—C20 1.394 (5)S9—C10 1.760 (4) C20—C21 1.386 (6)O23—C21 1.378 (4) C21—C22 1.376 (5)O23—C24 1.408 (6) C2—H2 0.9300O25—C20 1.366 (5) C3—H3 0.9300O25—C26 1.411 (6) C4—H4 0.9300N12—C6 1.294 (5) C7—H7A 0.9700N12—C11 1.400 (5) C7—H7B 0.9700C2—C3 1.365 (7) C8—H8 0.9800C3—C4 1.405 (6) C13—H13 0.9300C4—C5 1.373 (6) C14—H14 0.9300C5—C6 1.453 (5) C15—H15 0.9300C6—C7 1.507 (6) C16—H16 0.9300C7—C8 1.507 (5) C18—H18 0.9300C8—C17 1.520 (5) C19—H19 0.9300C10—C11 1.416 (6) C22—H22 0.9300C10—C13 1.391 (6) C24—H24A 0.9600C11—C16 1.388 (6) C24—H24B 0.9600C13—C14 1.393 (7) C24—H24C 0.9600C14—C15 1.355 (9) C26—H26A 0.9600C15—C16 1.372 (7) C26—H26B 0.9600C17—C18 1.368 (6) C26—H26C 0.9600C2—S1—C5 91.9 (2) S1—C2—H2 124.00C8—S9—C10 104.1 (2) C3—C2—H2 124.00C21—O23—C24 116.8 (3) C2—C3—H3 124.00C20—O25—C26 118.1 (3) C4—C3—H3 124.00C6—N12—C11 120.1 (3) C3—C4—H4 124.00S1—C2—C3 112.6 (3) C5—C4—H4 124.00supplementary materialssup-6Acta Cryst. (2014). E70, o121    C2—C3—C4 112.1 (4) C6—C7—H7A 109.00C3—C4—C5 112.7 (4) C6—C7—H7B 109.00S1—C5—C4 110.7 (3) C8—C7—H7A 109.00S1—C5—C6 120.3 (3) C8—C7—H7B 109.00C4—C5—C6 129.0 (4) H7A—C7—H7B 108.00N12—C6—C5 117.6 (4) S9—C8—H8 107.00N12—C6—C7 123.3 (3) C7—C8—H8 107.00C5—C6—C7 119.1 (4) C17—C8—H8 107.00C6—C7—C8 113.3 (3) C10—C13—H13 120.00S9—C8—C7 110.2 (3) C14—C13—H13 119.00S9—C8—C17 111.6 (2) C13—C14—H14 120.00C7—C8—C17 114.9 (3) C15—C14—H14 120.00S9—C10—C11 122.5 (3) C14—C15—H15 119.00S9—C10—C13 118.8 (3) C16—C15—H15 119.00C11—C10—C13 118.5 (4) C11—C16—H16 120.00N12—C11—C10 122.2 (3) C15—C16—H16 120.00N12—C11—C16 118.7 (3) C17—C18—H18 119.00C10—C11—C16 119.0 (4) C19—C18—H18 119.00C10—C13—C14 121.1 (4) C18—C19—H19 120.00C13—C14—C15 119.5 (5) C20—C19—H19 120.00C14—C15—C16 121.2 (5) C17—C22—H22 119.00C11—C16—C15 120.8 (4) C21—C22—H22 119.00C8—C17—C18 124.0 (3) O23—C24—H24A 109.00C8—C17—C22 118.2 (3) O23—C24—H24B 109.00C18—C17—C22 117.8 (3) O23—C24—H24C 109.00C17—C18—C19 121.7 (3) H24A—C24—H24B 109.00C18—C19—C20 119.6 (4) H24A—C24—H24C 109.00O25—C20—C19 124.8 (4) H24B—C24—H24C 109.00O25—C20—C21 116.2 (3) O25—C26—H26A 110.00C19—C20—C21 119.0 (4) O25—C26—H26B 109.00O23—C21—C20 115.1 (3) O25—C26—H26C 109.00O23—C21—C22 125.0 (4) H26A—C26—H26B 109.00C20—C21—C22 120.0 (3) H26A—C26—H26C 109.00C17—C22—C21 122.0 (4) H26B—C26—H26C 109.00C5—S1—C2—C3 0.9 (4) S9—C8—C17—C22 −64.7 (4)C2—S1—C5—C4 0.3 (3) C7—C8—C17—C18 −10.4 (6)C2—S1—C5—C6 −178.9 (3) C7—C8—C17—C22 169.0 (3)C10—S9—C8—C7 30.2 (3) S9—C10—C11—N12 0.0 (6)C10—S9—C8—C17 −98.7 (3) S9—C10—C11—C16 −175.7 (4)C8—S9—C10—C11 −62.9 (4) C13—C10—C11—N12 175.1 (4)C8—S9—C10—C13 122.1 (4) C13—C10—C11—C16 −0.6 (7)C24—O23—C21—C20 −175.5 (4) S9—C10—C13—C14 175.6 (4)C24—O23—C21—C22 3.9 (6) C11—C10—C13—C14 0.3 (7)C26—O25—C20—C19 13.0 (6) N12—C11—C16—C15 −175.9 (5)C26—O25—C20—C21 −167.2 (4) C10—C11—C16—C15 −0.1 (8)C11—N12—C6—C5 −176.7 (3) C10—C13—C14—C15 0.6 (8)C11—N12—C6—C7 6.6 (6) C13—C14—C15—C16 −1.3 (9)C6—N12—C11—C10 50.3 (6) C14—C15—C16—C11 1.1 (9)supplementary materialssup-7Acta Cryst. (2014). E70, o121    C6—N12—C11—C16 −134.0 (5) C8—C17—C18—C19 179.1 (4)S1—C2—C3—C4 −1.8 (5) C22—C17—C18—C19 −0.3 (6)C2—C3—C4—C5 2.1 (5) C8—C17—C22—C21 −179.7 (4)C3—C4—C5—S1 −1.4 (4) C18—C17—C22—C21 −0.3 (6)C3—C4—C5—C6 177.7 (4) C17—C18—C19—C20 0.4 (6)S1—C5—C6—N12 8.7 (5) C18—C19—C20—O25 179.8 (4)S1—C5—C6—C7 −174.4 (3) C18—C19—C20—C21 0.0 (6)C4—C5—C6—N12 −170.3 (4) O25—C20—C21—O23 −0.9 (5)C4—C5—C6—C7 6.5 (6) O25—C20—C21—C22 179.7 (4)N12—C6—C7—C8 −87.7 (5) C19—C20—C21—O23 178.9 (4)C5—C6—C7—C8 95.7 (4) C19—C20—C21—C22 −0.5 (6)C6—C7—C8—S9 48.4 (4) O23—C21—C22—C17 −178.7 (4)C6—C7—C8—C17 175.5 (3) C20—C21—C22—C17 0.6 (6)S9—C8—C17—C18 115.9 (4)Hydrogen-bond geometry (Å, º) D—H···A D—H H···A D···A D—H···AC4—H4···O23i 0.93 2.54 3.457 (5) 169Symmetry code: (i) −x, −y+1, −z+1.

Spinifex-textured peridotitic komatiite from Karighatta, Chitradurga schist belt, Karnataka

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Spinifex-textured peridotitic komatiite from Karighatta, Chitradurga schist belt, Karnataka

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