Crystal Structure and Conformational Analysis of 4-[(<Emphasis Type="Italic">p</Emphasis>-<Emphasis Type="Italic">N</Emphasis>,<Emphasis Type="Italic">N</Emphasis>-Dimethylamino)Benzylidene]-2-Phenyloxazole-5-One

Abstract  

Molecular and crystal structure of 4-[(p-N,N-dimethylamino)benzylidene]-2-phenyloxazol-5-one, C₁₈H₁₆N₂O₂, have been determined by single crystal X-ray diffraction study. The title compound is monoclinic, with a = 12.1704(23) ?, b = 3.9810(5) ?, c = 30.9603(56) ?, β = 101.176(15)°, Z = 4, D _x = 1.32 g/cm³, μ(Mo Kα) = 0.087 mm⁻¹, and space group is P12₁/c1. The structure was solved by direct methods and refined to a final R = 0.047 for 3166 reflections with I > 2σ(I). The crystal structure is stabilized by C–H⋯O and C–H⋯N type intra-molecular, C–H⋯O type inter-molecular interactions. To enlighten the flexibility and the geometric isomerism (E or Z) of the title compound, the selected torsion angle is varied from −180 to 180° in every 10° separately and molecular energy profile is calculated and analyzed.     

Synthesis and Crystal Structures of Two Metal Complexes Formed in the Solvothermal Decomposition Reactions of <Emphasis Type="Italic">N</Emphasis>-Carboxyphenylenesulfonyl-S-Carboxymethyl-<Emphasis Type="SmallCaps">l</Emphasis>-Cysteine

Abstract  

The reactions of a new compound of N-Carboxyphenylenesulfonyl-S-Carboxymethyl-l-Cysteine (Cs-cmc) with Zn(II) or Co(II) salts in the presence of 4,4′-bipyridine (4,4′-bipy) led to the decomposition of Cs-cmc and produced [Zn(4,4′-bipy)(H₂O)₄]X₂ (X = p-sulfamoylbenzoate) 1 and [Co(4,4′-bipy)(H₂O)₄]Y·H₂O (Y = p-sulfonatobenzoate) 2, in which the decomposition products of Cs-cmc exist as free counter-anions. The single crystal X-ray diffraction analyses revealed that compound 1 crystallizes in monoclinic C2/c space group with a = 18.748(4) ?, b = 11.520(2) ?, c = 12.751(3) ?, β = 90.290(4)°, V = 2753.9(10) ?, Z = 4 and compound 2 crystallizes in orthorhombic Pca2₁ space group with a = 12.114(3) ?, b = 11.369(2) ?, c = 14.770(3) ?, V = 2034.1(7) ?, Z = 4. It was revealed that 1D chains were constructed from metal ions and 4,4′-bipy in both compounds. The 1D chains interact with the counter-anions by hydrogen bonds, forming 3D supramolecular structures.     

An X-ray Crystallographic Study of 1,4-Di[(<Emphasis Type="Italic">E</Emphasis>)-2-(<Emphasis Type="Italic">p</Emphasis>-tolyl)-1-diazenyl]piperazine

Abstract  

The crystal structure of methyl 1,4-di[(E)-2-(p-tolyl)-1-diazenyl]piperazine (4) has been determined by single crystal X-ray diffraction analysis. The bis-triazene (4) adopts a normal chair conformation in the piperazine ring, with puckering parameters : φ₂ = −29(5)°, Q_T = 0.534(2) ? and θ₂ = 177.0(2)°. The crystal structure of 4 is compared with the structure of the triazene (2a) and the closely related bis-triazenes (3 and 5a). The piperazine ring of 2a and 4 adopt a typical chair conformation, whereas the piperazine ring of 3 adopts an unusual pseudo-boat conformation. Crystal data: 4 C₁₈H₂₂N₆, triclinic, space group P[`1] P\overline{1} , a = 6.8925(2) ?, b = 7.8574(3) ?, c = 16.8856(8) ?, α = 103.103(2)°, β = 90.528(2)°, γ = 101.776(2)° and V = 870.44 (6) ?³, for Z = 2.     

The Synthesis and Structure of Two Novel <Emphasis Type="Italic">N</Emphasis>-(Benzothiazol-2-yl)benzamides

Abstract  Two novel benzothiazoles 2-chloro-N-(benzothiazol-2-yl)benzamide (1) and 2-chloro-N-(6-cyanobenzothiazol-2-yl)benzamide (2) were obtained in multistep synthesis. They were characterised by means of IR, ¹H- and ¹³C-NMR spectroscopy and also by single-crystal X-ray diffraction. The compound 1 crystallises with triclinic space group P , a = 9.5923(8) ?, b = 9.8583(8) ?, c = 13.8962(10) ?, α = 89.162(6)°, β = 77.741(7)°, γ = 80.064(7)°, V = 1264.5(2) ?³, Z = 4 and compound 2 crystallises as methanol solvate with monoclinic space group P 2₁/n, a = 7.5093(9) ?, b = 13.0211(14) ?, c = 16.032(2) ?, β = 92.717(10)°, V = 1565.9(3) ?³, Z = 4. Both crystal structures consist of discrete dimers connected into a three-dimensional network by intermolecular C–H···O and C–H···X (X = Cl or S) hydrogen bonds and by face-to-face π–π stacking interactions. Index Abstract  The synthesis and structure of two novel N-(benzothiazol-2-yl)benzamides. Irena Ćaleta, Dominik Cinčić, GraceKarminski-Zamola and Branko Kaitner. Hydrogen bonds and π–π interactions in N-(benzothiazol-2-yl)benzamides N-(benzothiazol-2-yl)benzamides.      

Synthesis,Crystal Structure and Thermal Properties of <Emphasis Type="Italic">N</Emphasis>-Acetyl-3-(2-furyl)-5-ferrocenyl-2-pyrazoline and <Emphasis Type="Italic">N</Emphasis>-Acetyl-3-(2-thienyl)-5-ferrocenyl-2-pyrazoline

Abstract  

Two novel ferrocenyl substituted N-acetyl-2-pyrazolines, N-acetyl-3-(2-furyl)-5-ferrocenyl-2-pyrazoline (3) and N-acetyl-3-(2-thienyl)-5-ferrocenyl-2-pyrazoline (4), have been synthesized and characterized by FTIR, ¹H-NMR, ¹³C-NMR techniques, elemental analysis and X-ray structure analysis. Thermal properties of these compounds have been determined by TGA, DTA and DSC analysis. Compound 3 (C₁₉H₁₈N₂O₂Fe) crystallizes in the monoclinic space group P21/c and Z = 4, with a = 8.6970(4) ?, b = 18.4725(9) ?, c = 11.0041(5) ?, β = 110.942(3)°. Compound 4 (C₁₉H₁₈N₂OSFe) crystallizes in the orthorhombic space group Fdd2 and Z = 16, with a = 84.242(2) ?, b = 13.5416(5) ?, c = 5.9405(2) ?, β = 90°. In terms of crystal packing, each compound shows different molecular arrangement, which are stabilized by C–H···O intermolecular weak hydrogen bonds, and/or C–H···π interactions.     

Synthesis and Crystal Structure of (5-Methyl-3-phenyl-1<Emphasis Type="Italic">H</Emphasis>-pyrazol-1-yl)-[5-(<Emphasis Type="Italic">p</Emphasis>-tolylamino)-2<Emphasis Type="Italic">H</Emphasis>-1,2,3-triazol-4-yl]methanone

Abstract  

(5-Methyl-3-phenyl-1H-pyrazol-1-yl)-[5-(p-tolylamino)-2H-1,2,3-triazol-4-yl]methanone was synthesized and characterized by ¹H NMR, MS and IR spectra data. The structure of title compound was identified by X-ray diffraction. Compound, C₂₀H₁₈N₆O, Mr = 358.40, crystallizes in the triclinic space group P-1 with unit cell parameters a = 10.303(6), b = 12.489(7), c = 15.305(9) ?, α = 108.489(12), β = 101.920(11), γ = 96.971(13)°, V = 1790.0(17) ?³, Z = 4, Dx = 1.330 mg/cm³. The final R was 0.0520.     

Synthesis and Crystal Structure of (<Emphasis Type="Italic">S</Emphasis>)-2-((<Emphasis Type="Italic">S</Emphasis>)-2-(<Emphasis Type="Italic">N</Emphasis>-Ts-Amino)-3-methylbutanoyl)-3-(1H-indol-3-yl)-6-phenyl-3,4-dihydro-1,2,4-triazin-5(2H)-one

Abstract  

The diastereoselective synthesis, NMR and X-ray structure of (S)-2-((S)-2-(N-Ts-amino)-3-methylbutanoyl)-3-(1H-indol-3-yl)-6-phenyl-3,4-dihydro-1,2,4-triazin-5(2H)-one—a potential antivirus agent are reported. The compound crystallizes in the triclinic space group P1 with unit cell parameters: a = 5.9259(6) ?, b = 9.6370(12) ?, c = 12.9541(9) ?, α = 109.210(9)°, β = 90.804(7)°, γ = 105.074(10)° and Z = 1.     

An X-Ray Crystallographic Study of the Novel Aminal bis-(<Emphasis Type="Italic">p</Emphasis>-Ethoxycarbonylphenylamino-)methane

Abstract  The crystal structure of bis-(p-Ethoxycarbonylphenylamino-)methane (1) has been determined by single crystal X-ray diffraction analysis. The bis-aminal (1) molecule is V-shaped and situated on a twofold axis passing through C1 with the phenyl rings forming a dihedral angle of 70.2(1)°. The carboxylate and phenyl groups are coplanar. The crystal structure of 1 is compared with the structure of the closely related aminals, 2–5. Crystal data: 1 C₁₉H₂₂N₂O₄, tetragonal, space group I4 ₁ cd (N.110), a = 20.4760(7) Ǻ, b = 20.4760(7) Ǻ, c = 8.2984(3) ?, and V = 3477.7(2) ?³, for Ζ = 8. Index Abstract  The crystal structure of bis-(p-ethoxycarbonylphenylamino-)methane (1) has been determined by single crystal X-ray diffraction analysis.      

Synthesis and Crystal Structure of Bis(<Emphasis Type="Italic">N</Emphasis>-alkyl-<Emphasis Type="Italic">N</Emphasis>-phenyl dithiocarbamato)mercury(II)

Abstract  

The mixed ligand dithiocarbamate complex was synthesized by the reaction between the ammonium salt of the dithiocarbamate ligands with mercury salt. There are two mercury complexes in the asymmetric unit with a compositional disorder between an ethyl group and a methyl group. A distorted tetrahedral geometry is found for each mercury atom defined by four sulphur atoms derived from two asymmetrically chelating dithiocarbamate ligands. IR spectra show thioureide υ(C–N) bands at 1491 cm⁻¹ which is higher than observed in the simple complexes of the same ligands. The effect of alkyl substituents were observed in the magnetic unequivalence of the thioureide and phenyl units in the NMR spectroscopy. The molecules are related to each other by virtue of the compositional disorder which exists at three positions in the alkyl group across the unit. The compound crystallizes in the triclinic space group P-1 with a = 10.4764(10) ?, b = 11.0433(10) ?, c = 18.5566(17) ?, α = 97.8980(10)^°, β = 95.3340(10)^°, γ = 110.3010(10)^°, and Z = 2.     

Synthesis,Characterization and Biological Activity Studies on 6-<Emphasis Type="Italic">p</Emphasis>-Dimethylaminophenyl-5,6-dihydrobenzoimidazo[1,2-<Emphasis Type="Italic">c</Emphasis>]quinazoline: Crystal Structure of the Title Compound and Comparative Study with Related Derivatives

Abstract  

Reaction of o-aminophenylbenzimidazole with p-dimethylaminobenzaldehyde yielded 6-p-dimethylaminophenyl-5,6-dihydrobenzoimidazo[1,2-c]quinazoline, which was characterized by elemental analysis, IR, UV–Vis, ¹H NMR, ¹³C NMR, mass spectral studies and X-ray crystal structure analysis. Studies on the antimicrobial activity of the compound revealed that it is active against fungus Yeast but not Bacillus subtilis. The compound crystallized in the space group P2₁/n with the unit cell parameters a = 10.652(2) ?, b = 11.002(2) ?, c = 15.753(2) ?, β = 109.29(2)° and the structure was refined to an R-factor of 0.0479. The hydropyrimidine ring in the quinazoline moiety is in skew-boat conformation. The dimethylamino group attached to phenyl ring is in conjugation with it. The structure was stabilized by intermolecular C–H–N interactions. A few of the related quinazolines (6-p-hydroxyphenyl-5,6-dihydrobenzoimidazo[1,2-c]quinazoline; 6-phenyl-5,6-dihydrobenzoimidazo[1,2-c]quinazoline; 6-pyridyl-5,6-dihydrobenzoimidazo[1,2-c]quinazoline; 6-furyl-5,6-dihydrobenzoimidazo[1,2-c]quinazoline) were also examined for their biological activity, in addition to their characterization by IR, UV–Vis, ¹H and ¹³C NMR spectral studies along with structural comparison.     

Synthesis and Crystal Structures of Two Novel Complexes with <Emphasis Type="Italic">N</Emphasis>-[2-(5-Bromo-2-Hydroxybenzylideneamino)Ethyl]-4-Methylbenzenesulfonamide as Ligand

Abstract  

Two novel complexes constructed from the sulfonamide Schiff base ligand H ₂ L, N-[2-(5-bromo-2-hydroxybenzylideneamino)ethyl]-4-methylbenzene-sulfonamide, [Cu(HL)₂] (1) and [CuL(H₂O)] (2) are synthesized and characterized via X-ray single-crystal diffraction, elemental analysis, FT-IR and UV–Vis. 1 and 2 both form 1-D supramolecular architectures by π–π stacking interactions. 1 and 2 both crystallize in monoclinic, with space group C2/c and P2/c for 1 and 2, with unit cell parameters a = 27.640(18) ?, b = 7.907(5) ?, c = 17.945(14) ?, β = 118.27(2)°, V = 3454(4) ?³, Z = 4 for 1, and a = 16.758(5) ?, b = 7.272(2) ?, c = 15.080(4) ?, β = 106.334(5)°, V = 1763.6(9) ?³, Z = 4 for 2.     

Synthesis and Crystal Structures of <Emphasis Type="Italic">o</Emphasis>-[(Phenyl/<Emphasis Type="Italic">p</Emphasis>-methoxyphenyl)carbamoyl]benzene Sulfonamides

Abstract  

o-[(Phenyl/p-methoxyphenyl)carbamoyl]benzene sulfonamides were synthesized in a straightforward manner utilizing directly saccharin and aniline/p-anisidine as starting material and their crystal structures have been determined. (C₁₃H₁₂N₂O₃S): Mr = 276.31, monoclinic, P2₁/c, a = 10.277(6), b = 7.501(2), c = 16.261(10) ?, β = 96.37(2)°, V = 1,245.8(11) ?³, Z = 4. (C₁₄ H₁₄ N₂ O₄ S): Mr = 306.33, monoclinic, P2₁/c, a = 10.381(5), b = 7.861(2), c = 16.837(9) ?, β = 93.43(2)°, V = 1,371.5(10) ?³, Z = 4. In both structures the phenyl rings are inclined at 47.09(7) and 39.88(5)° with respect to each other and the structures are characterized by extensive inter and intramolecular hydrogen bonds.     

Synthesis,Characterization and Crystal Structure of (<Emphasis Type="Italic">S</Emphasis>)-2-(2-Hydroxynaphthalen-6-yl)-<Emphasis Type="Italic">N</Emphasis>-((pyridin-4-yl)methyl) Propanamide

Abstract  

The synthesis, characterization and crystal structure of the title compound, (S)-2-(2-hydroxynaphthalen-6-yl)-N-((pyridin-4-yl)methyl) propanamide, is described. The salt is enantiomerically pure and crystallize in the orthorhombic P2₁2₁2₁ chiral space group with a = 7.9174(13) ?, b = 11.1583(18) ?, c = 11.2600(18) ?. Each molecule is linked to four neighboring molecules through the O–H···O and N–H···N hydrogen bonds into a supramolecular helical chain. The O–H···O and N–H···N hydrogen bonds lead to 24-membered open rings. Chains are further connected into layers via extensive interchain H···O and H···C short contacts.     

Synthesis and Structure of (TMEDA)Cr(I)<Subscript>2</Subscript>(THF) and [(<Emphasis Type="Italic">N,N</Emphasis>-DMEDA)<Subscript>2</Subscript>CrI] I

Abstract  

The complexes (TMEDA)Cr(I)₂(THF) (1) and [(N,N-DMEDA)₂CrI] I (2) were synthesized and spectroscopically characterized (TMEDA = tetramethylethylenediamine, N,N-DMEDA = N,N dimethylethylenediamine). Complex 1 possesses square pyramidal geometry and crystallizes in spacegroup Pbca with crystal cell parameters a = 11.206(2) ?, b = 12.698(3) ?, c = 23.434(5) ?, V = 3,334.6(12) ?³ and Z = 4. Complex 2 also possesses square pyramidal geometry with a non-coordinated iodide counter anion and crystallizes in spacegroup P2₁/n with crystal cell parameters a = 9.4071(13) ?, b = 14.628(2) ?, c = 11.7516(16) ?, β = 98.904(2) ?°, V = 1,597.6(4) ?³ and Z = 4. Complex 2 has previously been incorrectly assigned as an octahedral complex based on spectroscopy.     

Synthesis,Characterization and Crystal Structure of Iridium(III)bis(2-<Emphasis Type="Italic">p</Emphasis>-tolyl-benzothiazolato-N,C<Superscript>2</Superscript>)(acetylacetonate)

Abstract  A novel thiazole-based iridium (III) complex (iridium(III)bis(2-p-tolyl-benzothiazolato-N,C²)(acetylacetonate)) has been prepared and fully characterized by EA, IR, ¹H-NMR and MS. The molecular structure of the complex has been determined by single crystal X-ray diffraction analysis. The iridium (III) center adopts a distorted octahedral geometry with cis-O–O, cis-C–C, and trans-N–N chelate disposition. The complex crystallizes in the orthorhombic Pbca space group with cell parameters a = 10.1388(7) ?, b = 18.3565(12) ?, c = 31.021(2) ?, α = β = γ = 90 ° and Z = 8. The electronic absorption and emission spectra of this complex have been investigated. Index Abstract  A novel thiazole-based phosphorescent iridium (III) complex (iridium(III) bis (2-p-tolyl-benzothiazolato-N,C²)(acetylacetonate)) has been prepared and fully characterized by EA, IR, ¹H-NMR, MS and X-ray diffraction analysis.     

Co-crystal Structure of 11-Hydroxy-2,3,9-trimethoxy-6<Emphasis Type="Italic">H</Emphasis>-chromeno[3,4-<Emphasis Type="Italic">b</Emphasis>]chromen-12-one and 11-Hydroxy-2,3,9-trimethoxy-chromeno[3,4-<Emphasis Type="Italic">b</Emphasis>]chromene-6,12-dione

Abstract  

A 1:1 co-crystal structure of 11-hydroxy-2,3,9-trimethoxy-6H-chromeno[3,4-b]chromen-12-one and 11-hydroxy-2,3,9-trimethoxy-chromeno[3,4-b]chromene-6,12-dione (stemonone) was crystallized from the reaction mixture of 6-deoxyclitoriacetal and methanesulfonyl chloride, and its structure was characterized by X-ray diffraction. This co-crystal crystallizes in a triclinic crystal system, space group P(−1) with unit cell parameters of a = 8.1317(3) Å, b = 9.8224(4) Å, c = 10.7268(3) Å, α = 78.116(1)°, β = 77.463(1)°, γ = 77.140(1)°, Z = 2 and V = 804.11(3) Å³. The crystal structure was solved by direct methods and refined by full-matrix least-squares on F ² to final values of R ₁ = 0.0501 and wR ₂ = 0.1520.     

Synthesis,Characterization and Antibacterial Activity of <Emphasis Type="Italic">N</Emphasis>-(<Emphasis Type="Italic">N</Emphasis>-Acetic Acid-yl-Phthalimide-5-yl) Maleamic Acid Dihydrate

Abstract  

The compound N-(N-acetic acid-yl-phthalimide-5-yl) maleamic acid (C₁₄H₁₀N₂O₇, M _r  = 318) was synthesized and its structure was characterized by elemental analysis, ¹H NMR and IR spectra. The single crystal of the title compound (C₁₄H₁₄N₂O₉, M _r  = 354.27) was cultured and its structure was determined by single crystal X-ray diffraction. The crystal belongs to monoclinic system, space group P21/c with a = 14.3859(19), b = 12.5835(18), c = 8.6934(15) ?, β = 102.824(2)°, V = 1534.5(4) ?³, Z = 4, D _c  = 1.534 g cm⁻³, μ(Mo Kα) = 0.131 mm⁻¹, F(000) = 736. The final refinement gave R = 0.0652, wR(F ²) = 0.1239 for 2,703 observed reflections with I > 2σ(I). X-ray diffraction analysis reveals that the asymmetric unit of the title compound contains one N-(N-acetic acid-yl-phthalimide-5-yl) maleamic acid molecule and two water molecules. One of the two water molecules is disordered. The phthalimide group is essentially planar. The crystal structure of the title compound is stabilized by N–H…O and O–H…O hydrogen bonds interactions. The compound N-(N-acetic acid-yl-phthalimide-5-yl) maleamic acid possesses moderate antibacterial activity.     

Synthesis,Crystal Structure,and Rotational Energy Profile of 3-Cyclopropyl-1,2,4-benzotriazine 1,4-Di-<Emphasis Type="Italic">N</Emphasis>-oxide

Abstract  

1,2,4-Benzotriazine 1,4-di-N-oxides are potent antitumor drug candidates that undergo in vivo bioreduction leading to selective DNA damage in the low oxygen (hypoxic) cells found in tumors. Tirapazamine (TPZ) is the lead compound in this family. Here we report on the synthesis, crystal structure, and conformational analysis of a new analog, 3-cyclopropyl-1,2,4-benzotriazine 1,4-di-N-oxide (3). Compound 3 (C₁₀H₁₀N₃O₂) crystallized in the monoclinic space group C2/c. Unit cell parameters for 3: a = 16.6306 (12), b = 7.799 (5), c = 16.0113 (11) ?, α = 90, β = 119.0440 (10), γ = 90, and z = 8.     

X-Ray Crystallographic Structure and Absolute Configuration of the Cyclic Di-amino Acid Peptide: Cyclo(<Emphasis Type="SmallCaps">l</Emphasis>-HomoCySH-<Emphasis Type="SmallCaps">l</Emphasis>-HomoCySH)

Abstract  

The cyclic di-amino acid peptide cyclo(l-homoCySH-l-homoCySH) [(3S, 6S)-3, 6-bis(2-sulfanylethyl) piperazine-2,5-dione, C₈H₁₄N₂O₂S₂, crystallizes in the orthorhombic space group P2₁2₁2₁ with unit cell parameters a = 6.1509(2) ?, b = 18.0217(9) ?, c = 29.6166(14) ?, V = 3283.0(2) ?³, Z = 12 (3 molecules, A, B and C, per asymmetric unit), D _c = 1.422 g cm⁻³ and a linear absorption coefficient of 0.464 mm⁻¹. The crystal structure determination was carried out with MoKα X-ray data measured at 120(2) K. In the final refinement cycle the data/restraints/parameter ratios were 5595/0/385 and goodness-of-fit on F ² = 1.084. Final R indices for [I > 2sigma(I)] were R1 = 0.0746, wR2 = 0.1356 and R indices (all data) R1 = 0.1092, wR2 = 0.1529. The largest electron density difference peak and hole were 0.526 and −0.445e ?⁻³. The DKP rings in all three molecules are essentially, and unusually, planar and the C=O oxygen atoms are co-planar with the ring in each case. Ring atom rms deviations, including the =O groups, are 0.0668, 0.0658 and 0.0656 ? in molecules A, B and C, respectively. Details of the molecular geometry are compared with the compound cyclo(Gly-Gly) (Degeilh R, Marsh RE Acta Cryst 12:1007, 1959) and in addition some cyclic di-amino acid peptides in which the DKP rings have more puckered boat conformations.     

Structure and Antibacterial Activity of 3-(3,4-Dimethoxyphenyl)furan-2(5<Emphasis Type="Italic">H</Emphasis>)-ones

Abstract  

Crystalline hydrate of the title compound (5), C₁₉H₂₆N₂O₅·2(H₂O), was structurally characterized by single crystal X-ray diffraction. It crystallizes in monoclinic system space group P 21/c with a = 7.3987(7) ?, b = 17.8691(16) ?, c = 17.0022(13) ?, β = 112.944(3)°, V = 2070.0(3) ?³, Z = 4, R ₁ = 0.0592, wR ₂ = 0.1016, and T = 298(2) K. The X-ray structure determination revealed that the center furanone ring is nearly coplanar with 3,4-dimethoxybenzene ring, making a dihedral angle of 0.860(69)°. Two kinds of centrosymmetric tetramers characterized by graph-set motifs of R ₇⁸(36) and R ₄⁶(32) are formed through O–H···O, O–H···N and C–H···O hydrogen bonding interactions, which generate a sheet of edge-fused rings parallel to the (011) plane. These sheets are further linked into a three dimensional network by C–H···π interactions. Nine 3-(3,4-dimethoxyphenyl)furan-2(5H)-ones were synthesized and fully characterized by elemental analysis, MS and ¹H NMR. All of them were evaluated for antimicrobial activities against three Gram-positive organisms and a Gram-negative organism, and compound 5 was the most active against Staphylococcus aureus ATCC 25923.