Home Physical Sciences The crystal structure of N,N′-(6-(thiophen-2-yl)-1,3,5-triazine-2,4-diyl)bis(2-methylpropane-2-sulfonamide) – ethyl acetate(2/1), C34H54N10O6S6
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The crystal structure of N,N′-(6-(thiophen-2-yl)-1,3,5-triazine-2,4-diyl)bis(2-methylpropane-2-sulfonamide) – ethyl acetate(2/1), C34H54N10O6S6

  • Zhenyu Zuo , Hao Yan , Xiao Song EMAIL logo , XiaoMei Song EMAIL logo and Dongyan Guo
Published/Copyright: November 9, 2018
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Zeitschrift für Kristallographie - New Crystal Structures
From the journal Zeitschrift für Kristallographie - New Crystal Structures Volume 234 Issue 2

Abstract

C34H54N10O6S6, monoclinic, P21 (no. 4), a = 11.8434(5) Å, b = 11.2298(6) Å, c = 17.0706(8) Å, β = 94.661(2)°, V = 2262.86(19) Å3, Z = 4, Rgt(F) = 0.0287, wRref(F2) = 0.0809, T = 150(2) K.

CCDC no.: 1574824

The asymmetric unit of the title crystal structure is shown in the figure (The disorder of the thiophen-2-yl moiety is omitted for clarity). Tables 1 and 2 contain details on crystal structure and measurement conditions and a list of the atoms including atomic coordinates and displacement parameters.

Table 1:

Data collection and handling.

Crystal:Stripe, colorless
Size:0.13 × 0.05 × 0.04 mm
Wavelength:Cu Kα radiation (1.54184 Å)
μ:3.22 mm−1
Diffractometer, scan mode:Bruker SMART, φ and ω-scans
θmax, completeness:63.8°, >97%
N(hkl)measured, N(hkl)unique, Rint:17958, 6789, 0.027
Criterion for Iobs, N(hkl)gt:Iobs > 2 σ(Iobs), 6602
N(param)refined:539
Programs:Bruker programs [1], SHELX [2]
Table 2:

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).

AtomxyzUiso*/Ueq
O1−0.1052(2)−1.5389(2)−0.42997(13)0.0337(5)
O2−0.61088(19)−1.0627(2)−0.18856(13)0.0319(5)
O3−0.35966(17)−0.6373(2)−0.31603(13)0.0300(5)
O4−0.8434(2)−0.1386(3)−0.06375(16)0.0438(6)
O5−0.2122(2)−0.1237(3)−0.16304(16)0.0453(7)
O6−0.1972(4)0.0745(4)−0.1535(3)0.0902(14)
S1−0.09513(6)−1.44643(7)−0.36826(4)0.02623(18)
S2−0.09269(7)−1.04271(9)−0.44628(5)0.0376(2)
S3−0.59102(6)−1.05917(7)−0.27347(4)0.02476(17)
S4−0.48283(6)−0.64982(7)−0.30672(4)0.02339(17)
S5−0.76661(6)−0.23224(8)−0.02997(5)0.02979(19)
S6Ba−0.7619(4)−0.8060(4)−0.1217(3)0.0329(10)
S6Ab−0.8900(3)−0.6345(3)−0.04373(16)0.0299(7)
N1−0.2257(2)−1.4272(3)−0.33706(17)0.0294(6)
H1−0.2613−1.4884−0.31820.035*
N2−0.2199(2)−1.2266(3)−0.36863(15)0.0265(6)
N3−0.3769(2)−1.1035(3)−0.34428(16)0.0257(6)
N4−0.5319(2)−1.1924(3)−0.29274(17)0.0276(6)
H4−0.5710−1.2578−0.28620.033*
N5−0.3813(2)−1.3116(3)−0.31532(15)0.0243(6)
N6−0.5204(2)−0.5172(3)−0.27089(16)0.0284(6)
H6−0.4926−0.4530−0.29180.034*
N7−0.6018(2)−0.3882(3)−0.18881(15)0.0238(5)
N8−0.6758(2)−0.2640(3)−0.09939(15)0.0289(6)
H8−0.6329−0.2069−0.11620.035*
N9−0.7260(2)−0.4629(3)−0.09735(15)0.0258(6)
N10−0.6434(2)−0.5971(3)−0.18516(15)0.0245(6)
C10.0955(3)−1.5356(4)−0.3028(3)0.0453(10)
H1A0.0941−1.5903−0.34760.068*
H1B0.1419−1.5698−0.25820.068*
H1C0.1279−1.4592−0.31730.068*
C36−0.2725(2)−1.1229(3)−0.36833(17)0.0240(6)
C2−0.0251(3)−1.5162(3)−0.2798(2)0.0320(8)
C3−0.0282(4)−1.4259(5)−0.2133(2)0.0507(11)
H3A−0.0104−1.3466−0.23270.076*
H3B0.0278−1.4481−0.17030.076*
H3C−0.1039−1.4252−0.19410.076*
C4−0.0782(3)−1.6351(4)−0.2619(2)0.0371(8)
H4A−0.1573−1.6228−0.25080.056*
H4B−0.0364−1.6711−0.21590.056*
H4C−0.0753−1.6882−0.30720.056*
C5−0.2768(3)−1.3183(3)−0.34064(19)0.0255(7)
C7−0.4252(2)−1.2020(3)−0.31812(17)0.0236(7)
C8−0.2132(3)−1.0207(3)−0.39833(19)0.0259(7)
C9−0.2482(3)−0.8959(3)−0.39191(19)0.0269(7)
H9−0.3114−0.8659−0.36730.032*
C10−0.1638(3)−0.8276(4)−0.4320(2)0.0382(8)
H10A−0.1668−0.7433−0.43670.046*
C11−0.0803(3)−0.8949(4)−0.4621(2)0.0382(8)
H11−0.0211−0.8613−0.48930.046*
C12−0.7077(4)−1.0887(5)−0.4143(2)0.0581(13)
H12A−0.6710−1.1649−0.42420.087*
H12B−0.6580−1.0232−0.42750.087*
H12C−0.7795−1.0833−0.44690.087*
C13−0.7302(3)−1.0807(3)−0.32801(19)0.0297(7)
C14−0.7906(3)−1.1882(4)−0.2998(3)0.0438(9)
H14A−0.7981−1.1812−0.24330.066*
H14B−0.7471−1.2600−0.31010.066*
H14C−0.8660−1.1937−0.32780.066*
C15−0.7941(3)−0.9660(4)−0.3109(3)0.0489(10)
H15A−0.8694−0.9676−0.33930.073*
H15B−0.7517−0.8971−0.32810.073*
H15C−0.8019−0.9601−0.25430.073*
C16−0.5190(3)−0.7508(4)−0.4478(2)0.0404(9)
H16A−0.5350−0.8203−0.41580.061*
H16B−0.4377−0.7476−0.45490.061*
H16C−0.5618−0.7570−0.49930.061*
C17−0.5539(3)−0.6381(3)−0.40671(18)0.0276(7)
C18−0.5149(3)−0.5273(3)−0.4475(2)0.0338(8)
H18A−0.5444−0.5284−0.50280.051*
H18B−0.4319−0.5254−0.44420.051*
H18C−0.5430−0.4565−0.42180.051*
C19−0.6796(3)−0.6360(4)−0.3966(2)0.0419(9)
H19A−0.6998−0.5597−0.37360.063*
H19B−0.6985−0.7011−0.36180.063*
H19C−0.7219−0.6459−0.44800.063*
C20−0.5907(3)−0.5012(3)−0.21180(18)0.0236(6)
C21−0.6680(3)−0.3749(3)−0.12933(18)0.0244(6)
C23−0.5845(4)−0.2591(4)0.0738(2)0.0463(10)
H23A−0.6290−0.32430.09390.069*
H23B−0.5328−0.22740.11650.069*
H23C−0.5407−0.28890.03170.069*
C24−0.6636(3)−0.1613(4)0.04210(19)0.0354(8)
C25−0.6014(3)−0.0582(4)0.0067(2)0.0394(8)
H25A−0.5486−0.0894−0.02960.059*
H25B−0.5591−0.01340.04880.059*
H25C−0.6563−0.0054−0.02180.059*
C26−0.7379(4)−0.1168(5)0.1052(2)0.0559(12)
H26A−0.7883−0.05390.08330.084*
H26B−0.6897−0.08510.14980.084*
H26C−0.7832−0.18300.12310.084*
C27−0.9234(3)−0.7734(4)−0.0364(3)0.0473(10)
H27Ab−0.9838−0.7981−0.00680.057*
H27a−0.9875−0.7900−0.00820.057*
C28−0.8621(4)−0.8522(4)−0.0738(3)0.0481(10)
H28b−0.8786−0.9349−0.07160.058*
H28Aa−0.8705−0.9363−0.07450.058*
C29Ba−0.8705(16)−0.6535(17)−0.0478(12)0.040(6)
H29Ba−0.8929−0.5812−0.02480.048*
C29Ab−0.7815(11)−0.7838(14)−0.1124(9)0.046(4)
H29Ab−0.7310−0.8200−0.14580.055*
C31−0.3151(3)−0.1191(5)−0.1233(2)0.0471(10)
H31A−0.3764−0.0810−0.15740.057*
H31B−0.3029−0.0725−0.07410.057*
C32−0.1605(4)−0.0196(4)−0.1728(2)0.0460(10)
C33−0.0528(3)−0.0354(5)−0.2107(3)0.0536(11)
H33A0.0061−0.0645−0.17170.080*
H33B−0.02940.0411−0.23170.080*
H33C−0.0643−0.0932−0.25360.080*
C34−0.7123(2)−0.5695(3)−0.12818(17)0.0235(6)
C35−0.7806(3)−0.6656(3)−0.09926(19)0.0271(7)
C37−0.3462(4)−0.2460(5)−0.1054(3)0.0557(12)
H37A−0.3566−0.2913−0.15450.084*
H37B−0.4167−0.2468−0.07910.084*
H37C−0.2853−0.2821−0.07090.084*

  1. Occupancies: a = 0.417(6), b = 0.583(6).

Source of material

Under the protection of N2, Mg (4.80 g, 0.20 mol) and I2 (1.02 g, 0.004 mol) were added to the solution of tetrahydrofuran (150 mL). After 10 min 2-bromothiophene (32.60 g, 0.20 mol) was added to the suspension mixture dropwisely. When Mg disappeared, the reaction mixture was cooled to −15 °C. A solution of 2,4,6-trichloro-1,3,5-triazine (36.88 g, 0.20 mol) in tetrahydrofuran was added to the above solution of thiophen-2-yl magnesium bromide within 5 min. After 5 h, the mixture was filtered and the filtrate was evaporated to get a yellow solid, which was purified by chromatography on silica gel to get 2,4-dichloro-6-(thiophen-2-yl)-1,3,5-triazine (26.0 g, yield 56%) as a yellow solid. To a suspension of NaH (1.92 g, 0.08 mol) in 60 mL of tetrahydrofuran was added tert-butanesulfinamide (9.70 g, 0.08 mol). The mixture was stirred at room temperature for 30 min. Then a solution of 2,4-dichloro-6-(thiophen-2-yl)-1,3,5-triazine (4.64 g, 0.02 mol) in 20 mL of tetrahydrofuran was added slowly (about in 5 min). After stirring at reflux for 12 h, the reaction was quenched with 2 mL of MeOH and evaporated to get a yellow solid which was dissolved in the mixture of CH2Cl2 and water. The organic layer was separated, washed with water, dried by anhydrous Na2SO4 and then filtered. The filtrate was evaporated to get a yellow solid, which was purified by chromatography on silica gel (PE:EA = 6:1) to afford 2,4-bis(R-tertbutylsulfonamido)-6-(thiophen-2-yl)-1,3,5-triazine (3.05 g, yield 38%). 1H NMR: (400 MHz, chloroform-d) δ9.99 (s, 2H), 8.13 (s, 1H), 7.60 (d, J = 8 Hz, 1H), 7.17 (t, J = 3.4 Hz, 1H), 1.37 (s, 18H). Crystals were obtained by recrystallization with ethyl acetate at room temperature.

Experimental details

The data were scaled and corrected for absorption using SADABS-2016/2 (Bruker, APEX-II). The hydrogen atoms were placed at calculated positions and refined as riding atoms with isotropic displacement parameters. The structure was refined as an inversion twin giving a Flack parameter of 0.024(14). The disorder of the thiophen-2yl moiety is handled with an aproximately 1/1 ratio.

Discussion

As an important aromatic unit, thiophene ring was widely used in constructing many novel heterocyclic compounds. Due to its unique pharmacological activity [3], [4] , high catalytic activity [5] and good photoelectric property [6] thiophene derivatives were widely used in the areas of pharmacy, chemical industry, agriculture [7] and organic semiconductor materials [8], [9] . Developing novel chiral compounds containing thiophene rings and studying its properties have drawn more and more attentions of researchers in recent years. In this paper, 2,4-bis(R-tertbutylsulfonamido)-6-(thiophen-2-yl)-1,3,5- triazine was synthesized using 1,3,5-triazine as starting material. Its structure was characterized by 1H NMR and X-ray diffraction.

There are two cystallographically independent molecules (2(C15H23N5O2S3)) and one solvent molecule (C4H8O2) in the asymmetric unit, in which all bond lengths are in normal ranges [10]. In one of independent molecule (C15H23N5 O2 S3), the typical bond length of S1—N1, S1—O1, N1—C5 and S2—C8 are 1.690(3) Å, 1.477(3) Å, 1.364(5) Å, 1.720(3) Å respectively. The angle of C11—S2—C8 is 91.23(18)°, which is smaller than that of C11—C10—C9 is 115.0(4)°. The torsion angle of C9—C8—C36—N3 is 11.318°, which demonstrated that thiophene ring and the 1,3,5-triazine ring were not coplanar. In molecular packing, classical (i) and non-classical (ii) hydrogen bonds were observed as following: (i) N1—H1⋯O3′ hydrogen bond (d(H1⋯O3′) = 2.04 Å), N4—H4⋯N7′ hydrogen bond (d(H4⋯N7′) = 2.27 Å), N6—H6⋯N5′′ hydrogen bond (d(H6⋯N5′′) = 2.12 Å), N8—H8⋯O2′′ hydrogen bond (d(H8⋯O2′′) = 2.07 Å); (ii) C4—H4A⋯O3′ hydrogen bond (d(H4A⋯O3′) = 2.56 Å), C10—H10A⋯O1′′ hydrogen bond (d(H10A⋯O1′′) = 2.41 Å), C12—H12C⋯O1′′′ hydrogen bond (d(H12C⋯O1′′′) = 2.46 Å), C28—H28A⋯O4′ hydrogen bond (d(H28A⋯O4′) = 2.30 Å), (′ = x, y − 1, z; ′′ = x, y + 1, z; ′′′ = −x − 1, y + 0.5, −z − 1).

Acknowledgements

We acknowledge the supports by Key project of Shaanxi Provincial Education Department (17JS029), Natural Science Basic Research Program of Shaanxi (2017JM8070). China Postdoctoral Science Foundation funded project (2016M602994).

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Received: 2018-10-06
Accepted: 2018-10-17
Published Online: 2018-11-09
Published in Print: 2019-03-26

©2019 Zhenyu Zuo et al., published by De Gruyter, Berlin/Boston

This work is licensed under the Creative Commons Attribution 4.0 Public License.

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  31. Crystal structure of rac-trans-6,6′-((cyclohexane-1,2-diylbis(azanylylidene))bis(methanylylidene))bis(2-bromophenolato-κ4N,N′,O,O′)-bis(methanol)cobalt(III) chloride, C22H25Br2Co8N2O4Cl
  32. Crystal structure of 1-((R)-(2′-(dimethylamino)-[1,1′-binaphthalen]-2-yl))-3-((S)-2-hydroxy-1-phenylethyl)thiourea, C31H29N3OS
  33. Crystal structure and photochemical property of 1,8-bis(p-tolylthio)pyrene, C30H22S2
  34. Crystal structure of 2-(2-(2-amino-6-chloro-9H-purin-9-yl)ethyl)propane-1,3-diyl diacetate, C14H18ClN5O4
  35. Crystal structure of ethyl 5-amino-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate, C11H12N4O2
  36. Crystal structure of trichloro-(4-chloro-2,6-bis(diphenylmethyl)-N-((pyridin-2-yl)methylene)aniline)-aluminum dichloromethane solvate, C39H31AlCl6N2
  37. Bis(ethanol-κO)-bis(6-aminopicolinato-κ2N,O)magnesium(II), C16H22O6N4Mg
  38. Crystal structure of catena-poly[aqua-(μ2-1,7-dicarba-closo-dodecaborane-1,7-dicarboxylato-κ2O:O′)-(1,10-phenanthrolin-κ2N,N′)copper(II)], C16H20B10CuN2O5
  39. Crystal structure of (1,2-dicarba-closo-dodecaborane-1,2-dithiolato κ2S,S′)-bis(1,10-phenanthroline κ2N,N′)zinc(II), C26H26B10Zn4S2
  40. Crystal structure of diaqua-bis(1,10-phenanthroline-κ2N,N′)-bis(1,7-dicarba-closo-dodecaborane-1,7-dicarboxylato-κ3O,O′:O′′) dicobalt(II) — ethanol (1/1), C34H46B20Co2N4O11
  41. Crystal structure of ((5,5′-dimethoxy-2,2′-(1,2-phenylenebis(nitrilomethylidyne)))diphenolato-κ4O,N,O′,N′)copper(II), C22H18N2CuO4
  42. Crystal structure of 1-(5-bromo-2-(4-methoxyphenyl)-1H-indol-7-yl)ethan-1-ol, C17H14BrNO2
  43. Crystal structure of (E)-2-(((6-bromopyridin-2-yl)methylene)amino)-3′,6′-bis(diethylamino)spiro[isoindoline-1,9′-xanthen]-3-one, C34H34N5O2Br
  44. Crystal structure of (Z)-2-((adamantan-1-ylimino)methyl)-5-methoxyphenol, C18H23NO2
  45. Crystal structure of bis((E)-2-ethoxy-6-(((2-hydroxyethyl)imino)methyl)phenolato-κ2N,O)copper(II), C22H28N2CuO6
  46. Crystal structure of 2,3-diphenyl-5,6-bis(4-methoxyphenyl)pyrazine, C30H24N2O2
  47. Crystal structure of dichlorido bis[1-((2,4-dimethyl-1H-imidazol-1-yl)methyl)-1H-benzo[d][1,2,3]triazole-κN]cadmium(II), Cd(C12H13N5)2Cl2
  48. The crystal structure of 1,5-di(naphthalen-2-yl)-3-(pyridin-2-yl)pentane-1,5-dione, C30H23NO2
  49. The crystal structure of 2-((3-methylthiophen-2-yl)methylene)malononitrile, C9H6N2S
  50. The crystal structure of 1,4-dinitroso-2,3,5,6-tetraacetoxy-piperazine, C12H16N4O10
  51. Crystal structure of bis(2,4,6-trichlorophenyl) malonate, C15H6Cl6O4
  52. The crystal structure of trans-dichlorido-bis(pyridine-2-carboxylato-κ2N,O)platinum(IV), C12H8Cl2N2O4Pt
  53. Crystal structure of 3-nitroquinoline 1-oxide, C9H6N2O3
  54. Crystal structure of 2-(piperidin-1-ium-4-yl)-1H-benzo[d]imidazol-3-ium dichloride dihydrate, C12H21Cl2N3O2
  55. Crystal structure of (4S,4aS,6aR,6bR,12aS,12bR,14aS,14bR)-3,3,6a,6b,9,9,12a-heptamethyloctadecahydro-1H,3H-4,14b-ethanophenanthro[1,2-h]isochromene, C30H50O
  56. Crystal structure of (E)-4-((2-fluoro-3-(trifluoromethyl)benzylidene)amino)-3-methyl-1H-1,2,4-triazole-5(4H)-thione, C11H8F4N4S
  57. Crystal structure of 5-(4-fluorophenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, C9H8FN3S
  58. Crystal structure of catena-poly[(1-(4-fluorophenyl)-N–(5-((trimethylstannyl)thio)-1,3,4-thiadiazol-2-yl)methanimine], (C12H14FN3S2Sn)n
  59. The crystal structure of 4-(methoxycarbonyl)benzoic acid, C9H8O4
  60. The crystal structure of N,N′-(6-(thiophen-2-yl)-1,3,5-triazine-2,4-diyl)bis(2-methylpropane-2-sulfonamide) – ethyl acetate(2/1), C34H54N10O6S6
  61. Crystal structure of N′-(1-(2-hydroxyphenyl)ethylidene)-5-methyl-1-phenyl-1H-1,2,3-triazole-4-carbohydrazide, C18H17N5O2
  62. Crystal structure of 3-(4-methoxyphenyl)-1-phenylprop-2-yn-1-one, C16H12O2
  63. Crystal structure of N′-(1-(benzofuran-2-yl)ethylidene)-2-cyanoacetohydrazide, C13H11N3O2
  64. Crystal structure of hexa-μ2-chlorido-μ4-oxido-tetrakis(1-vinyl-1H-imidazole-κN)tetracopper(II), C20H24Cu4Cl6N8O
  65. Crystal structure of N′-((1E,2E)-4-(7-methoxy-2-oxo-2H-chromen-8-yl)-2-methylbut-2-en-1-ylidene)-4-methylbenzenesulfonohydrazide, C22H22O5N2S
  66. Crystal structure of 2-acetyl pyrene, C18H12O
https://doi.org/10.1515/ncrs-2018-0414
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Articles in the same Issue

  1. Cover and Frontmatter
  2. Crystal structure of 1H-indole-5-carboxylic acid – 4,4′-bipyridine (2/1), C14H11N2O2
  3. Crystal structure of ethyl 2-amino-4-(4-ethoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c] chromene-3-carboxylate, C23H21NO6
  4. Crystal structure of ethyl 2-amino-4-(4-bromothiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, C16H16BrNO4S
  5. The crystal structure of 6-amino-2-methyl-8-(4-(methylthio)phenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile – ethanol (1/1), C20H19N5S
  6. Crystal structure of 6-amino-8-(4-isopropylphenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile-ethanol (1/1), C24H29N5O
  7. Crystal structure of 1,1′-(ethane-1,2-diyl)bis(3-ethyl-1H-imidazol-3-ium)bis(hexafluorido phosphate), C12H20F12N4P2
  8. Crystal structure of dimethyl (3aS,6R,6aS,7S)-2-pivaloyl-2,3-dihydro-1H,6H,7H-3a,6:7,9a-diepoxybenzo[de]isoquinoline-3a1,6a-dicarboxylate, C21H25NO8
  9. Crystal structure of methyl 4-(4-bromothiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C18H20BrNO3S
  10. Hydrothermal synthesis and crystal structure of catena-poly[bis(4-((pyridin-4-ylmethyl)amino)benzoato-κ3N:O,O′)zinc(II) – 1,2-di(pyridin-4-yl)ethene – water (1/1/1), C38H34N6O5Zn
  11. The crystal structure of 1,2-dimethyl-3,4-dinitrobenzene, C8H8N2O4
  12. Synthesis and crystal structure of trans-tetraaqua-bis(3-(((7-hydroxy-3-(4-hydroxy-3-sulfonatophenyl)-4-oxo-4H-chromen-8-yl)methyl)ammonio)propanoato-κO)zinc(II) tetrahydrate, C38H48N2O26S2Zn
  13. Crystal structure of diaqua-bis(μ2-6-chloropyridin-2-olato-κ3N,O:O)-tetrakis(chloropyridin-2-olato-κ1O)-bis(penanthroline-κ2N,N′)diterbium(III), C54H38Cl6Tb2N10O8
  14. Crystal structure of oxidobis(piperidine-1-carbodithioato-κ2S,S′)vanadium(IV), C12H20N2OS4V
  15. Crystal structure of 2-((tert-butyldimethylsilyl)oxy)-5-methylisophthalaldehyde, C15H22O3Si
  16. Crystal structure of catena-poly[tetraiodido-(μ2-1,4-bis(2-methyl-1H-imidazol-1-yl)benzene-κ2N:N′)dimercury(II)], C14H14Hg2I4N4
  17. Crystal structure of tetrakis(n-butyl)-(μ2-1,2-bis(2-oxidobenzoyl)hydrazine-1,2-diido-κ6N,O,O′:N′,O′′,O′′′)ditin(IV), C30H44N2O4Sn2
  18. Crystal structure of ethyl 2-amino-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-5-oxo-4H,5H-pyrano-[4,3-b]pyran-3-carboxylate, C19H19NO7
  19. Crystal structure of 3-aminopyrazine-2-carbohydrazide, C5H7N5O
  20. Crystal structure of ethanol-bis(N-((5-(ethoxycarbonyl)-3,4-dimethyl-1H-pyrrol-2-yl)methylene)benzohydrazonato-κ2N,O)copper(II), C36H42N6O7Cu
  21. Crystal structure of 3-methyl-2-oxo-2H-chromen-7-yl propionate, C13H12O4
  22. Crystal structure of 2-(dimethylamino)ethyl 4-aminobenzoate, C11H16N2O2
  23. Crystal structure of 3-(benzo[d]thiazol-2-ylamino)isobenzofuran-1(3H)-one, C15H10N2O2S
  24. Crystal structure of 3-((1H-benzo[d]imidazol-2-yl)amino)-2-(1H-benzo[d]imidazol-2-yl)isoindolin-1-one, C22H16N6O
  25. Crystal structure of (2,2′-bipyridine-κ2N,N′)bis(4-(dimethylamino)phenyldiphenylphosphane-κP)copper(I) tetrafluoroborate, C50H48BCuF4N4P2
  26. Crystal structure of citric acid–acetonitrile (1/1), C8H11NO7
  27. Crystal structure of diethyl 2-(4-methoxyphenyl)-1-phenyl-1,2-dihydropyridine-3,5-dicarboxylate, C24H25NO5
  28. The crystal structure of poly[triaqua-bis(μ3-2,5-dihydroxyterephthalato-κ4O,O′:O′′:O′′′)-(μ4-oxalato-κ4O,O′:O′′,O′′′)cerium(III)], C9H10CeO11
  29. Crystal structure of 1-(5-(anthracen-9-yl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)propan-1-one, C26H22N2O2
  30. Synthesis and crystal structure of 5-(8-(((2-carboxyethyl)ammonio)methyl)-7-hydroxy-4-oxo-4H-chromen-3-yl)-2-hydroxybenzenesulfonate trihydrate, C19H23NO12S
  31. Crystal structure of rac-trans-6,6′-((cyclohexane-1,2-diylbis(azanylylidene))bis(methanylylidene))bis(2-bromophenolato-κ4N,N′,O,O′)-bis(methanol)cobalt(III) chloride, C22H25Br2Co8N2O4Cl
  32. Crystal structure of 1-((R)-(2′-(dimethylamino)-[1,1′-binaphthalen]-2-yl))-3-((S)-2-hydroxy-1-phenylethyl)thiourea, C31H29N3OS
  33. Crystal structure and photochemical property of 1,8-bis(p-tolylthio)pyrene, C30H22S2
  34. Crystal structure of 2-(2-(2-amino-6-chloro-9H-purin-9-yl)ethyl)propane-1,3-diyl diacetate, C14H18ClN5O4
  35. Crystal structure of ethyl 5-amino-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate, C11H12N4O2
  36. Crystal structure of trichloro-(4-chloro-2,6-bis(diphenylmethyl)-N-((pyridin-2-yl)methylene)aniline)-aluminum dichloromethane solvate, C39H31AlCl6N2
  37. Bis(ethanol-κO)-bis(6-aminopicolinato-κ2N,O)magnesium(II), C16H22O6N4Mg
  38. Crystal structure of catena-poly[aqua-(μ2-1,7-dicarba-closo-dodecaborane-1,7-dicarboxylato-κ2O:O′)-(1,10-phenanthrolin-κ2N,N′)copper(II)], C16H20B10CuN2O5
  39. Crystal structure of (1,2-dicarba-closo-dodecaborane-1,2-dithiolato κ2S,S′)-bis(1,10-phenanthroline κ2N,N′)zinc(II), C26H26B10Zn4S2
  40. Crystal structure of diaqua-bis(1,10-phenanthroline-κ2N,N′)-bis(1,7-dicarba-closo-dodecaborane-1,7-dicarboxylato-κ3O,O′:O′′) dicobalt(II) — ethanol (1/1), C34H46B20Co2N4O11
  41. Crystal structure of ((5,5′-dimethoxy-2,2′-(1,2-phenylenebis(nitrilomethylidyne)))diphenolato-κ4O,N,O′,N′)copper(II), C22H18N2CuO4
  42. Crystal structure of 1-(5-bromo-2-(4-methoxyphenyl)-1H-indol-7-yl)ethan-1-ol, C17H14BrNO2
  43. Crystal structure of (E)-2-(((6-bromopyridin-2-yl)methylene)amino)-3′,6′-bis(diethylamino)spiro[isoindoline-1,9′-xanthen]-3-one, C34H34N5O2Br
  44. Crystal structure of (Z)-2-((adamantan-1-ylimino)methyl)-5-methoxyphenol, C18H23NO2
  45. Crystal structure of bis((E)-2-ethoxy-6-(((2-hydroxyethyl)imino)methyl)phenolato-κ2N,O)copper(II), C22H28N2CuO6
  46. Crystal structure of 2,3-diphenyl-5,6-bis(4-methoxyphenyl)pyrazine, C30H24N2O2
  47. Crystal structure of dichlorido bis[1-((2,4-dimethyl-1H-imidazol-1-yl)methyl)-1H-benzo[d][1,2,3]triazole-κN]cadmium(II), Cd(C12H13N5)2Cl2
  48. The crystal structure of 1,5-di(naphthalen-2-yl)-3-(pyridin-2-yl)pentane-1,5-dione, C30H23NO2
  49. The crystal structure of 2-((3-methylthiophen-2-yl)methylene)malononitrile, C9H6N2S
  50. The crystal structure of 1,4-dinitroso-2,3,5,6-tetraacetoxy-piperazine, C12H16N4O10
  51. Crystal structure of bis(2,4,6-trichlorophenyl) malonate, C15H6Cl6O4
  52. The crystal structure of trans-dichlorido-bis(pyridine-2-carboxylato-κ2N,O)platinum(IV), C12H8Cl2N2O4Pt
  53. Crystal structure of 3-nitroquinoline 1-oxide, C9H6N2O3
  54. Crystal structure of 2-(piperidin-1-ium-4-yl)-1H-benzo[d]imidazol-3-ium dichloride dihydrate, C12H21Cl2N3O2
  55. Crystal structure of (4S,4aS,6aR,6bR,12aS,12bR,14aS,14bR)-3,3,6a,6b,9,9,12a-heptamethyloctadecahydro-1H,3H-4,14b-ethanophenanthro[1,2-h]isochromene, C30H50O
  56. Crystal structure of (E)-4-((2-fluoro-3-(trifluoromethyl)benzylidene)amino)-3-methyl-1H-1,2,4-triazole-5(4H)-thione, C11H8F4N4S
  57. Crystal structure of 5-(4-fluorophenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, C9H8FN3S
  58. Crystal structure of catena-poly[(1-(4-fluorophenyl)-N–(5-((trimethylstannyl)thio)-1,3,4-thiadiazol-2-yl)methanimine], (C12H14FN3S2Sn)n
  59. The crystal structure of 4-(methoxycarbonyl)benzoic acid, C9H8O4
  60. The crystal structure of N,N′-(6-(thiophen-2-yl)-1,3,5-triazine-2,4-diyl)bis(2-methylpropane-2-sulfonamide) – ethyl acetate(2/1), C34H54N10O6S6
  61. Crystal structure of N′-(1-(2-hydroxyphenyl)ethylidene)-5-methyl-1-phenyl-1H-1,2,3-triazole-4-carbohydrazide, C18H17N5O2
  62. Crystal structure of 3-(4-methoxyphenyl)-1-phenylprop-2-yn-1-one, C16H12O2
  63. Crystal structure of N′-(1-(benzofuran-2-yl)ethylidene)-2-cyanoacetohydrazide, C13H11N3O2
  64. Crystal structure of hexa-μ2-chlorido-μ4-oxido-tetrakis(1-vinyl-1H-imidazole-κN)tetracopper(II), C20H24Cu4Cl6N8O
  65. Crystal structure of N′-((1E,2E)-4-(7-methoxy-2-oxo-2H-chromen-8-yl)-2-methylbut-2-en-1-ylidene)-4-methylbenzenesulfonohydrazide, C22H22O5N2S
  66. Crystal structure of 2-acetyl pyrene, C18H12O
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