New Toluene Hemi Solvate of the Proton Pump Inhibitor Piperazinium Esomeprazolate

Abstract  The new toluene hemisolvate of the piperazinium salt of esomeprazole, ((S)-5-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]-3H-benzimidazole, C₁₇H₁₉N₃O₃S) has the composition piperazinium esomeprazolate 0.5 toluene. The unit cell has monoclinic P2₁ symmetry with the cell parameters a = 10.0903(16) ?, b = 16.234(3) ?, c = 15.316(2) ?, β = 92.746(12)°, V = 2,506.0(7) ?³. It contains four piperazinium, four esomeprazolate and two toluene molecules. The crystal structure exhibits intermolecular hydrogens bonds within the layers and Van der Waals contacts between the layers. Additionally, three new crystal phases of solvent-free piperazinium esomeprazolate were found. Index Abstract  The title compound is a toluene hemisolvate of the piperazinium salt of esomeprazole, ((S)-5-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]-3H-benzimidazole. Single crystal X-ray diffraction analysis reveals that the molecules crystallize in layers. In a layer the molecules are held together by classical hydrogen bonds whereas the layers on the other hand are connected by vdW contacts.      

An X-ray Crystallographic Study of the Related Triazenes, 1,4-Di[(<Emphasis Type="Italic">E</Emphasis>)-2-(2-nitrophenyl)-1-diazenyl]piperazine and Methyl 4-{(E)-2-(4-methylpiperazino)-1-diazenyl}benzoate

Abstract The crystal structures of methyl 4-{(E)-2-(4-methylpiperazino)-1-diazenyl}benzoate (2a) and 1,4-di[(E)-2-(2-nitrophenyl)-1-diazenyl]piperazine (3a) have been determined by single crystal X-ray diffraction analysis. The bis-triazene (3a) adopts an unusual pseudo-boat conformation in the piperazine ring, with a dihedral angle of 52.20(0.06)° between the two planes defined within the piperazine ring. The crystal structures of 2a and 3a are compared with the structure of the triazene (4) and the closely related bis-triazene (5). The piperazine ring of 2a adopts a typical chair conformation, whereas the piperazine ring of 3a adopts an unusual boat conformation. Crystal data: 2a C₁₃H₁₈N₄O₂, monoclinic, space group P2₁ /n, a = 13.849(3) ?, b = 6.577(1) ?, c = 14.904(3) ?, α = 90°, β = 96.098(3)°, γ = 90° and V = 1,349.8(4) ?³, for Z = 4. 3a C₁₆H₁₆N₈O₄, triclinic, space group P-1, a = 7.6066(6) ?, b = 8.3741(7) ?, c = 14.507(1) ?, α = 78.673(1)°, β = 81.877(1)°, γ = 73.445(1)° and V = 865.0(1) ?³, for Z = 2. Index abstract The crystal structures of methyl 4-{(E)-2-(4-methylpiperazino)-1-diazenyl}benzoate (2a) and 1,4-di[(E)-2-(2-nitrophenyl)-1-diazenyl]piperazine (3a) have been determined by single crystal X-ray diffraction analysis.     

Crystal Structures of (2-oxo-2H-Quinaxalin-1-yl)-acetic Acid and its Cobalt and Nickel Complexes and Their Comparison with (1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-acetic Acid

Abstract The crystal structures of (2-oxo-2H-quinaxalin-1-yl)-acetic acid and its cobalt and nickel complexes are determined. The (2-oxo-2H-quinaxalin-1-yl)-acetic acid (1) crystallizes in orthorhombic, Pbca, a = 12.8571(11) ?, b = 9.4267(8) ?, c = 15.0095(13) ?, the cobalt complex of (2-oxo-2H-quinaxalin-1-yl)-acetic acid (2) crystallizes as dihydrate in triclinic, P-1 space group with a = 4.81150(10) ?, b = 11.8631(2) ?, c = 12.4867(3) ?, α = 71.7800(10)°, β = 79.2490(10)°, γ = 84.9020(10)° whereas the nickel complex of (2-oxo-2H-quinaxalin-1-yl)-acetic acid (3) crystallizes in monoclinic, P2₁/c space group with a = 14.9210(5) ?, b = 4.81730(10) ?, c = 15.7672(5) ?. and β = 99.823(2)°. The crystal structure of the ligand and the complexes are compared with structures of (1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid and its cobalt and nickel complexes. Index Abstract The crystal structures of (2-oxo-2H-quinaxalin-1-yl)-acetic acid and its nickel and cobalt complexes are compared with (1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid and its corresponding complexes with nickel(II) and cobalt(II).      

Synthesis and Crystal Structure of Compound 1,5-bis(4-methoxyphenyl)-3a-(2-phenyl-2H-1,2,3-triazol-4-yl)-4,5-dihydro-3aH-benzo[b][1,2,4]oxadiazolo[4,5-d][1,4]thiazepine

Abstract The crystal structure of title compound has been determined. The compound crystallizes in the triclinic system with space group P-1, lattice parameters; a = 9.2938 (5) ?, b = 11.9992 (7) ?, c = 25.5918 (13) ?, α = 91.343 (2)°, β = 95.8360 (10)°, γ = 101.005 (2)°, V = 2784.3 (3) ?³, Z = 4, X-Ray analysis reveals that the molecular backbone consists of tricyclic system with the central seven-membered ring in twisted chair-like conformation. Graphical abstract The crystal structure of 1,5-bis(4-methoxyphenyl)-3a-(2-phenyl-2H-1,2,3-triazol-4-yl)-4,5-dihydro-3aH-benzo[b][1,2,4]oxadiazolo[4,5-d][1,4]thiazepine was first determined by single-crystal X-ray diffraction which reveals that the molecular backbone consists of a tricyclic system with the central seven-membered ring in twisted chair-like conformation .     

Synthesis and Crystal Structure of Two Diflunisal Carboxamides

Graphical abstract  

The title compounds, 2′,4′-difluoro-4-[(4-methylbenzoyl)oxy]-N-[4-nitro-3-(trifluoromethyl)phenyl]-[1,1′-biphenyl]-3-carboxamide 2a and 2′,4′-difluoro-4-[(4-chlorobenzoyl)oxy]-N-[4-nitro-3-(trifluoromethyl) phenyl]-[1,1′-biphenyl]-3-carboxamide 2b, synthesized from diflunisal, a registered anti-inflammatory drug, via amidation of carboxlic acid and esterification of phenolic hydroxy group, were confirmed by single- crystal X-ray diffraction showing their packing are stabilized by intermolecular hydrogen bonds      

Spectroscopic Studies and Crystal Structure of 3-[(2-morpholinoethylimino)methyl]benzene-1,2-diol

Abstract Schiff base 3-[(2-morpholinoethylimino)methyl]benzene-1,2-diol has been synthesized from the reaction of 4-(2-aminoethyl)morpholine with 2,3-dihydroxybenzaldehyde. The title compound has been characterized by elemental analysis, IR, ¹H-NMR, ¹³C-NMR and UV–visible techniques. The structure of the compound also has been examined crystallographically. For the compound exist as dominant form of enol-imines in both the solutions and solid state. The crystal structure has been solved by direct methods and refined by full-matrix least squares. The title compound crystallize in the monoclinic space group P2₁/n with a = 12.085(1), b = 8.256(1), c = 13.650(1) ?, β = 108.56(1)°, V = 1291.1(2) ?³, D _x = 1.288 g cm⁻³, respectively (R ₁ = 0.0336 and wR ₂ = 0.0922 for 2117 reflections [I > 2σ(I)]. Index abstract Intramolecular hydrogen bonding is important on the tautomeric properties and the type of aldehyde plays a vital role of the enol-imine and keto-amine properties of the Schiff base ligand.      

Synthesis and Crystal Structure of 4,6-dihydroxy-2-[2-(4-hydroxy-phenyl)-vinyl]-benzene-1,3-dicarbaldehyde

Abstract The title compound, 3, 6-dihydroxy-2-[2-(4-hydroxy-phenyl)-vinyl]- benzene-1,3-dicarbaldehyde was synthesized by Vilslmeier reaction from resveratrol (trans-3,4′,5-trihydroxystilbene). Its structure was determined by X-ray single crystal diffraction. The crystal belongs to monoclinic, space group P2₁/n with crystallographic parameters: a = 7.2950(15) ?, b = 14.781(3) ?, c = 12.202(2) ?, β = 96.57(3)°, μ = 0.108 mm⁻¹, V = 1307.1(5) ?, Z = 4, Dx = 1.445 g/cm³, F(000) = 592, T = 293(2) K, 2.17°≤ θ ≤ 26.00°. The X-ray results demonstrated that the Vilslmeier reaction of resveratrol with DMF, POCl₃ and CH₃CN yielded 4,6-dhydroxy-2-[2-(4-hydroxy-phenyl)-vinyl]-benzene-1,3-dicarbaldehyde. Graphical Abstract In this article, a resveratrol derivative was prepared and structurally characterized by single crystal X-ray diffraction.      

Synthesis and Structural Conformation Studies of a Potent Unsymmetrical 1,4-Dihydropyridine

Abstract 2,6-Dimethyl-5-(phenylcarbamoyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-2-carboxylate was synthesized in two steps and was characterized spectroscopically and confirmed by X-ray diffraction studies. The molecule crystallizes in the monoclinic crystal class in the spacegroup P2₁/c with cell parameters a = 10.5960(6) ?, b = 10.2450(7) ?, c = 19.5790(11) ?, β = 107.448(3)° and Z = 4. The 1,4-dihydropyridine ring in the structure adopts a flattened boat conformation. Graphical Abstract 2,6-Dimethyl-5-(phenylcarbamoyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-2-carboxylate was synthesized in two steps and was characterized spectroscopically and confirmed by X-ray diffraction studies. The molecule crystallizes in the monoclinic crystal class in the spacegroup P2₁/c with cell parameters a = 10.5960(6) ?, b = 10.2450(7) ?, c = 19.5790(11) ?, β = 107.448(3)° and Z = 4. The 1,4-dihydropyridine ring in the structure adopts a flattened boat conformation.      

X-ray Crystal Structure of Grandiflorenic Acid [(−)-kaura-9(11)-16-dien-19-oic Acid] Methyl Ester,a Compound Formerly Considered as an Oily Derivative

Abstract  Grandiflorenic acid [(−)-kaura-9(11)-16-dien-19-oic acid] methyl ester (2), C₂₁H₃₀O₂, was synthesized from grandiflorenic acid, isolated from the plant Montanoa tomentosa. Compound (2) was formerly described as an oily derivative. X-ray diffraction analysis of (2) demonstrated that it consists of four rings, three six-membered rings (I, II and III) and one five-membered ring (IV). I, II and III rings occur in chair, twist, and envelope conformations, respectively. Ring IV occurs in a conformation between envelope and half-chair. The crystal of grandiflorenic acid methyl ester is in monoclinic crystal system with space group P2₁, lattice constants: a = 7.2170(10), b = 11.4170(10), c = 11.2850(10) ?, β = 98.700(10)°, V = 919.1(2) ?³ and Z = 2. Index Abstract  Grandiflorenic acid [(−)-kaura-9(11)-16-dien-19-oic acid] methyl ester (2) was synthesized. This compound was formerly considered as an oily derivative. The crystal structure of (2) was obtained by determination of X-ray diffraction from suitable single crystals.      

Synthesis and Crystal Structure of <Emphasis Type="Italic">N</Emphasis>′-(6-Chloropyridin-3-formyl)-<Emphasis Type="Italic">N</Emphasis>-<Emphasis Type="Italic">t</Emphasis>-Butyl Urea

Abstract The crystal structure of N′-(6-chloropyridin-3-formyl)-N-t-butyl urea, C₁₁H₁₄ClN₃O₂, has been established, and which belongs to monoclinic crystal system, space group Pn with unit cell dimensions a = 9.335(3) ?, b = 12.715(3) ?, c = 21.813(6) ?, β = 95.417(6)°, V = 2577.6(12) ?³ and Z = 8. An intramolecular N–H···O hydrogen bond forms a six-membered ring in the central part of the molecule. Both two N–H atoms of single unit participate in intermolecular hydrogen bonds and an intramolecular hydrogen bond, respectively. Index Abstract The crystal structure ofN′-(6-chloropyridin-3-formyl)-N-t-butyl urea, C₁₁H₁₄ClN₃O₂, has been established, and which belongs to monoclinic crystal system withZ = 8, space group Pn.      

Synthesis and Crystal Structure of 3-Quinuclidinyl α-(Cyclopentyl-1-ene)-α-hydroxy-α-phenylacetate

Abstract The title compound 3-quinuclidinyl α-(cyclopentyl-1-ene)-α-hydroxy-α-phenylacetate was obtained by the reaction of methyl α-(cyclopentyl-1-ene)-α-hydroxy-α-phenylacetate with 3-quinuclidinol in n-heptane. Its structure was characterized by ¹H, ¹³C NMR, MS and X-ray single-crystal diffraction techniques: C₂₀H₂₅NO₃, M _r = 327.41, orthorhombic, space group P2₁2₁2₁ with a = 8.547(2), b = 11.428(4), c = 18.288(5) ?, V = 1786.3(9) ?³, Z = 4. The title compound comprises a tertiary α-hydroxy acid and a bicyclo[2.2.2]octan moiety. The crystal structure shows the presence of the intermolecular O(1)–H(1)···N(1) hydrogen bonds. Index Abstract The title compound, 3-quinuclidinyl α-(cyclopentyl-1-ene)-α-hydroxy-α-phenylacetate was obtained by the reaction of methyl α-(cyclopentyl-1-ene)-α-hydroxy-α-phenylacetate with 3-quinuclidinol in n-heptane and its crystal structure determined. The title compound comprises a tertiary α-hydroxy acid and a bicyclo[2.2.2]octan moiety. The crystal structure shows the presence of the intermolecular O(1)–H(1)···N(1) hydrogen bonds.      

Crystal and Molecular Structures of Benzyl-(2-chloro-6-methylpyrimidin-4-yl)amine and Benzyl-(4-chloro-6-methylpyrimidin-2-yl)amine: Confirmation of Computationally Predicted Restricted Rotation

Abstract Crystal structures for the isomeric compounds benzyl-(2-chloro-6-methylpyrimidin-4-yl)amine (1), as its hemi-hydrate, and benzyl-(4-chloro-6-methylpyrimidin-2-yl)amine (2) have been determined. Conformational differences lead to multiple molecules, i.e. two and three, in their respective structures. Layers feature in each of the crystal structures and are stabilized by substantial hydrogen-bonding interactions. Compound (1) crystallizes as a hemi-hydrate in the triclinic space group P-1 with a = 8.667(5) ?, b = 11.421(7) ?, c = 12.954(8) ?, α = 78.330(10)°, β = 84.553(10)°, γ = 75.510(9)°, and Z = 4. Compound (2) crystallizes in the monoclinic space group P2₁/c with a = 10.740(3) ?, b = 21.487(6) ?, c = 14.914(4) ?, β = 95.014(5)°, and Z = 12. Index Abstract Substantial hydrogen-bonding interactions leading to layer structures feature in each of the crystal structures of the isomeric title compounds. Electronic supplementary material The online version of this article (doi: ) contains supplementary material, which is available to authorized users.     

Synthesis of <Emphasis Type="Italic">E</Emphasis> Isomer and Crystal Structures of <Emphasis Type="Italic">E</Emphasis> and <Emphasis Type="Italic">Z</Emphasis> Isomers of 3-(2,5-Dimethoxyphenyl)-2-(4-methoxyphenyl)acrylonitrile

Abstract Details of the synthesis of the E isomer of 3-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)acrylonitrile, and the X-ray crystal structures of both the E and Z isomers of this compound are presented. The E isomer crystallizes in the P2₁/c space group with cell parameters, a = 8.5659(17) ?, b = 16.399(3) ?, c = 11.224(2) ?, α = 90°, β = 95.27(3)°, γ = 90°and Z = 4. The Z isomer crystallizes in the Pca2₁ space group with cell parameters, a = 4.1223(8) ?, b = 19.113(4) ?, c = 19.453(4) ?, α = 90°, β = 90°, γ = 90° and Z = 4. Index Abstract Synthesis of E isomer and X-ray crystal structure determination of both E and Z isomers of 3-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)acrylonitrile are presented.      

Synthesis, Crystal Structure of a New Co(II) Complex with Pyrazine-2,3,5,6-tetracarboxylic Acid

Abstract A new complex [Co(H₂pztc)(bpy)H₂O] (H₄pztc = pyrazine-2,3,5,6-tetracarboxylic acid, bpy = 2,2′-bipyridine) has been synthesized by hydrothermal reactions of Co(NO₃)₂ · 6H₂O with H₄pztc and bpy and characterized by IR and X-ray diffraction single crystal structure analysis. It belongs to monoclinic system, P2₁/c space group with a = 13.454(2) ?, b = 12.939(2) ?, c = 11.4993(19) ?, α = 90°, β = 111.640(3)°, γ = 90°. This complex is assembled into 3D supramolecular architecture by hydrogen bonds (O–H···O, C–H···O). Index Abstract A new complex of cobalt(II) with pyrazine-2,3,5,6-tetracarboxylic acid and 2,2′-bipyridine is assembled by intermolecular hydrogen bonds forming 2D layer and 3D supramolecular network.      

Synthesis and Crystal Structure of Bis (Tetrabutylammonium)(4,4′-Azodi(phenylcyanamide)) Salt · [(<Emphasis Type="Italic">n</Emphasis>-Bu)<Subscript>4</Subscript>N]<Subscript>2</Subscript>[Azodicyd<Superscript>2−</Superscript>] · H<Subscript>2</Subscript>O

Abstract The chemical preparation and crystal structure for a 4,4′-azodi(phenylcyanamide) salt) in the solid state are reported. This compound crystallizes in the triclinic space group P with the following unit cell parameters: a = 9.759(3) ?, b = 11.237(4) ?, c = 11.919(4) ?, α = 95.54(3)°, β = 98.50(3)°, γ = 109.39(2)°, Z = 1 and V = 1204.4(7) ?³. The 4,4′-azodi(phenylcyanamide) dianion, azodicyd²⁻, is approximately planar, with the cyanamide groups (–N=C=N) in an anti conformation relative to each other and the azo group (–N=N–) adopting the more thermodynamically stable trans conformation. The crystal X-ray analysis shows that there are one azo molecule cation, two tetrabutylammonium cations and one water molecule in unit cell. Intermolecular O–H···N hydrogen bonds may be effective in the stabilization of the crystal structure of this compound and to form linear chain structure in the packing. Index Abstract Synthesis and crystal structure of Bis (Tetrabutylammonium)(4,4′-Azodi(phenylcyanamide)) salt . [(n-Bu)4N]2[Azodicyd^2-] · H₂O Davar M. Boghaei ^1*, Fatemeh Behzadian-Asl ¹ and Hamid Reza Khavasi^{2 1} Department of Chemistry, Sharif University of Technology, P.O. Box 11155-9616, Tehran, Iran ² Department of Chemistry, Shahid Beheshti University, Evin, Tehran 1983963113, Iran Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users.     

Synthesis, Crystal Structure and Fluorescence Property of a Binuclear Zn(II) Complex: [Zn2(μ-N3)2(N3)2(L)2] [L?=?1-(1,10-phenanthrolin-2-yl)-2-pyridone]

Abstract  Hydrated zinc perchlorate reacted with sodium azide and 1-(1,10-phenanthrolin-2-yl)-2-pyridone (L) in methanol solution and resulted in the formation of a new binuclear complex: [Zn₂(μ-N₃)₂(N₃)₂(L)₂]. The complex has been characterized by elemental analysis and IR spectrum, and its crystal structure determined by X-ray crystallography and the complex crystallizes in the monoclinic system with space group P2₁/c and a = 11.409(2), b = 8.0733(15), c = 18.163(3) Ǻ, β = 99.095(3)°. In the complex two azide anions act as bridge ligand and another two azide anion and two 1-(1,10-phenanthrolin-2-yl)-2-pyridone function as terminal ligands, and Zn(II) ion lies in a distorted triangle bipyramid geometry. Index Abstract  The title binuclear Zn(II) complex was synthesized by zinc perchlorate, sodium azide and 1-(1,10-phenanthrolin-2-yl)-2-pyridone and its crystal structure determined. Single crystal X-ray diffraction analysis reveals that azide anion function as both bridge ligand and terminal ligand, and 1-(1,10-phenanthrolin-2-yl)-2-pyridone only acts as a terminal ligand.      

Synthesis and Crystal Structures of Three Pyrazine-2-carboxylate Containing Isostructural Complexes: M(2-pyrazine-carboxylate)<Subscript>3</Subscript> (M = Co<Superscript>+3</Superscript>, Cr<Superscript>+3</Superscript>, and Rh<Superscript>+3</Superscript>)

Abstract Three new isostructural coordination complexes, M(pca)₃, where M = Co (1), Cr (2), or Rh (3) and 2-pyrazine-carboxylate (pca), have been synthesized solvothermally and characterized by single crystal X-ray diffraction and powder X-ray diffraction. In structures 1-3, the pca ligand chelates to the metal centers in a tris-chelating arrangement through proximal nitrogen and oxygen donor atoms. Structures 1-3 are monoclinic and crystallize in the space group C2/C. In structure 1, a = 28.066(13) ?, b = 8.036(4) ?, c = 13.577(6) ?, and β = 90.2(10)°. In structure 2 a = 28.318(3) ?, b = 8.089(4) ?, c = 13.792(12) ?, and β = 90.256(2)°. In structure 3, a = 28.679(4) ?, b = 8.051(13) ?, c=13.847(2) ?, and β = 90.585(2)°. Graphical Abstract Three new isostructural coordination complexes, M(pca)₃, where M = Co, Cr, or Rh and 2-pyrazine-carboxylate (pca), have been synthesized solvothermally and characterized by single crystal X-ray diffraction and powder X-ray diffraction.      

Synthesis,Crystal Structure and Bioactivities of <Emphasis Type="Italic">N</Emphasis>-(2,6-Difluorobenzoyl)-<Emphasis Type="Italic">N</Emphasis>′-[5-(Pyrid-4-yl)-1,3,4-Thiadiazol-2-yl]Urea

Abstract N-(2,6-difluorobenzoyl)-N′-[5-(pyrid-4-yl)-1,3,4-thiadiazol-2-yl]urea, 3, has been synthesized by reaction of 2-amino-5-(pyrid-4-yl)-1,3,4-thiadiazole with 2,6-difluorobenzoyl isocyanate, and its structure was characterized with X-ray crystallographic, NMR, MS and IR techniques. It crystallizes in the triclinic space group P − 1, with a = 7.0821(9) ?, b = 9.4896(13) ?, c = 11.6594(15) ?, α = 82.311(2)°, β = 82.328(2)°, and γ = 87.641(2)°. In the title compound, the urea scaffold in each molecule is essentially planar due to the presence of intramolecular N–H···O hydrogen bond. The molecules are linked by intermolecular complementary N–H···O hydrogen bonds into centrosymmetric R ₂²(8) dimers. Intermolecular π–π stacking interactions are also present. The preliminary bioassay shows that the title compound exhibits excellent fungicidal activities against Rhizoctonia solani, Botrytis cinerea and Dothiorella gregaria. Index Abstract N-(2,6-difluorobenzoyl)-N′-[5-(pyrid-4-yl)-1,3,4-thiadiazol-2-yl]urea has been synthesized and characterized with X-ray crystallographic, NMR, MS and IR techniques. The preliminary bioassay shows that the title compound exhibits excellent fungicidal activities.      

Synthesis, Structure and Properties of (H2NCH2CH2NH3)3 {(VO)6 [B10O16 (OH)6]2} · 11H2O

Abstract A new polyoxovanadoborate cluster (H₂NCH₂CH₂NH₃)₃ {(VO)₆[B₁₀O₁₆(OH)₆]₂} · 11H₂O was prepared by hydrothermal technique and characterized by single crystal X-ray diffraction analysis, IR and TGA. The crystal of the new compound belongs to monoclinic system, space group C2/c with a = 20.198(1) ?, b = 13.4476(8) ?, c = 21.602(1) ?, β = 97.067(1)°, V = 5822.8(5) ?³, Z = 4, D _c = 1.956 g cm⁻³, M = 1714.4, μ = 1.066 mm⁻¹, S = 1.905, R = 0.059, R _w = 0.0966. Index Abstract A new polyoxovanadoborate cluster (H2NCH2CH2NH3)3{(VO)6 [B10O16(OH)6]2} · 11H2O was prepared by hydrothermal technique and characterized by single crystal X-ray diffraction analysis, IR and TGA.      

Crystal and Molecular Structure of <Emphasis Type="Italic">trans</Emphasis>-1,2-bis(2-benzothiazolyl)ethene

Abstract The crystal and molecular structure of trans-1,2-bis(2-benzothiazolyl)ethene is reported. Crystal data for 1: monoclinic, space group C 2/c, a = 24.926(3) ?, b = 4.843(1) ?, c = 11.164(1) ?, β = 105.274(5) °, V = 1300.0(3) ?³, and D _c = 1.50 g/cm³ for Z = 4 and R = 0.028. The molecule crystallizes in the form of a colorless plate and forms one-dimensional slipped π-stacks. Graphical Abstract The title compound crystallizes to form 1D slipped π-stacks in the solid state. Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users.