Synthesis, crystal structure and Hirshfeld surface analysis of (3)-4-[(4-amino-1,2,5-oxa-diazol-3-yl)amino]-3-bromo-1,1,1-tri-fluoro-but-3-en-2-one.

In the title compound, CHBrFNO, the oxa-diazole ring is essentially planar with a maximum deviation of 0.003 (2) Å. In the crystal, mol-ecular pairs are connected by N-H⋯N hydrogen bonds, forming dimers with an (8) motif.

Synthesis, crystal structure and Hirshfeld surface analysis of 3-(4-fluoro-phen-yl)-2-formyl-7-methyl-imidazo[1,2-]pyridin-1-ium chloride monohydrate.

In the title salt, CHFNO·Cl·HO, the imidazo[1,2-]pyridin-1-ium ring system of the cation is almostly planar [maximum deviaition = -0.047 (2) Å for the ring C atom with the attached arene ring] and forms a dihedral angle of 61.81 (6)° with the plane of the fluoro-phenyl ring.

Synthesis, crystal structure and Hirshfeld surface analysis of 5-[2-(di-cyano-methyl-idene)hydrazin-1-yl]-2,4,6-tri-iodo-isophthalic acid ethanol monosolvate.

The title compound, CHINO·CHO, crystallizes in the triclinic space group with one independent mol-ecule and one ethanol solvent mol-ecule in the asymmetric unit. The benzene ring and the methyl-carbonohydrazonoyl dicyanide group of the main mol-ecule makes a dihedral angle of 57.91 (16)°.

Crystal structure and Hirshfeld surface analysis of bis-{()-'-[()-(furan-2-yl)methyl-idene]carbamo-hydrazono-thio-ato}nickel(II) methanol disolvate.

In the title complex, [Ni(CHNOS)]·2CHOH, the Ni atom is coordinated by the S and N atoms of two '-[()-(furan-2-yl)methyl-idene]carbamohydrazono-thioic acid ligands in a distorted square-planar geometry. The two mutual ligands bound to Ni are also connected by C-H⋯S inter-actions, while the H atoms of the NH group of the ligands form (8) motifs with the O atoms of the solvent ethyl alcohol mol-ecules. At the same time, the OH groups of the solvent ethyl alcohol mol-ecules form parallel layers to the (011) plane by the O-H⋯N inter-actions with the ligand N atom that is not bonded to the Ni atom.

Crystal structure and Hirshfeld surface analysis of 4-cyano--[(4-cyano-phen-yl)sulfon-yl]--[2-(5-methyl-furan-2-yl)phen-yl]benzene-sulfonamide.

In the title compound, CHNOS, intra-molecular π-π inter-actions [centroid-to-centroid distance = 3.5640 (9) Å] are observed between the furan and benzene rings of the 4-cyano-phenyl group. In the crystal, mol-ecules are connected C-H⋯O and C-H⋯N hydrogen bonds, forming layers parallel to the (100) plane.

Crystal structure and Hirshfeld surface analysis of -{[5-(4-methyl-phen-yl)-1,2-oxazol-3-yl]meth-yl}-1-phenyl--(prop-2-en-1-yl)methane-sulfonamide.

In the title compound, CHNOS, the 1,2-oxazole ring makes the dihedral angles of 9.16 (16) and 87.91 (17)°, respectively, with the toluene and phenyl rings, while they form a dihedral angle of 84.

Crystal structure and Hirshfeld surface analysis of ()-1-[2,2-di-bromo-1-(2-nitro-phen-yl)ethen-yl]-2-(4-fluoro-phen-yl)diazene.

In the title compound, CHBrFNO, the nitro-substituted benzene ring and the 4-fluoro-phenyl ring form a dihedral angle of 65.73 (7)°. In the crystal, mol-ecules are linked into chains by C-H⋯O hydrogen bonds running parallel to the -axis direction.

Crystal structure and Hirshfeld surface analysis of 5-(5-phenyl-1,2-oxazol-3-yl)-1,3,4-thia-diazol-2-amine.

The title compound, CHNOS, crystallizes with two independent mol-ecules in the asymmetric unit. In the crystal, the N-H⋯N and C-H⋯N hydrogen bonds connect the mol-ecules, generating double layers parallel to the (001) plane. The layers are joined by C-H⋯π inter-actions to form a three-dimensional supra-molecular structure.

Crystal structure and Hirshfeld surface analysis of 5-acetyl-3-amino-6-methyl--phenyl-4-[()-2-phenyl-ethen-yl]thieno[2,3-]pyridine-2-carbox-amide.

The asymmetric unit of the title compound, CHNOS, comprises four mol-ecules. Their conformations differ primarily in the orientations of the styryl and the -phenyl-carboxamido groups. In the crystal, inter-molecular N-H⋯N, C-H⋯O and C-H⋯S hydrogen-bonding contacts as well a C-H⋯π(ring) inter-actions lead to the formation of a layer structure parallel to (010).

Crystal structure and Hirshfeld surface analysis of 4,5-di-bromo-2-(4-meth-oxy-phen-yl)-2,3,4,4a,5,6,7,7a-octa-hydro-1-4,6-ep-oxy-1-cyclo-penta-[]pyridin-1-one.

The mol-ecule of the title compound, CHBrNO, comprises a fused tricyclic system consisting of two five-membered rings (cyclo-pentane and tetra-hydro-furan) and one six-membered ring (tetra-hydro-pyridinone). Both five-membered rings of the tricyclic system have envelope conformations, and the conformation of the six-membered cycle is inter-mediate between chair and half-chair. In the crystal, the mol-ecules are linked by C-H⋯O hydrogen bonds and C-H⋯π, C-Br⋯π and C⋯O inter-actions into double layers.

(3a,4,5,6,7a)-4,5-Di-bromo-2-[4-(tri-fluoro-meth-yl)phen-yl]-2,3,3a,4,5,6,7,7a-octa-hydro-3a,6-ep-oxy-1-isoindol-1-one: crystal structure and Hirshfeld surface analysis.

The asymmetric unit of the title compound, CHBrFNO, consists of two crystallographically independent mol-ecules. In both mol-ecules, the pyrrolidine and tetra-hydro-furan rings adopt an envelope conformation. In the crystal, mol-ecule pairs generate centrosymmetric rings with (8) motifs linked by C-H⋯O hydrogen bonds.

Crystal structure and Hirshfeld surface analysis of ()-3-hy-droxy-2-{[(3a,6,7a)-2-(4-methyl-phenyl-sulfon-yl)-2,3,3a,6,7,7a-hexa-hydro-3a,6-ep-oxy-1-isoindol-6-yl]meth-yl}isoindolin-1-one.

The title compound, CHNOS, crystallizes with two independent mol-ecules ( and ) in the asymmetric unit. In the central ring systems of both mol-ecules, the tetra-hydro-furan rings adopt envelope conformations, the pyrrolidine rings adopt a twisted-envelope conformation and the six-membered ring is in a boat conformation. In mol-ecules and , the nine-membered groups attached to the central ring system are essentially planar (r.

Crystal structure and Hirshfeld surface analysis of 2-benzyl-4,5-di-bromo-2,3,3a,4,5,6,7,7a-octa-hydro-3a,6-ep-oxy-1-isoindol-1-one.

The title compound, CHBrNO, crystallizes with two mol-ecules in the asymmetric unit of the unit cell. In both mol-ecules, the tetra-hydro-furan rings adopt an envelope conformation with the O atom as the flap and the pyrrolidine rings adopt an envelope conformation. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds, forming sheets lying parallel to the (002) plane.

Crystal structure and Hirshfeld surface analysis of 4,5-di-bromo-6-methyl-2-phenyl-2,3,3a,4,5,6,7,7a-octa-hydro-3a,6-ep-oxy-1-isoindol-1-one.

In the title compound, CHBrNO, two bridged tetra-hydro-furan rings adopt envelope conformations with the O atom as the flap. The pyrrolidine ring also adopts an envelope conformation with the spiro C atom as the flap. In the crystal, the mol-ecules are linked into dimers by pairs of C-H⋯O hydrogen bonds, thus generating (18) rings.

Crystal structure and Hirshfeld surface analysis of ethyl (4,4a)-2-methyl-5,8-dioxo-6-phenyl-4a,5,6,7,7a,8-hexa-hydro-4-furo[2,3-]iso-indole-4-carboxyl-ate.

In the title compound, CHNO, the central six-membered ring has a slightly distorted half-chair conformation, with puckering parameters of = 0.3387 (11) Å, θ = 49.11 (19)° and φ = 167.

Crystal structure and Hirshfeld surface analysis of ()-3-[(4-methyl-benzyl-idene)amino]-5-phenylthiazolidin-2-iminium bromide ,-di-methyl-formamide monosolvate.

In the cation of the title salt, CHNS·Br·CHNO, the central thia-zolidine ring adopts an envelope conformation with puckering parameters (2) = 0.310 (3) Å and (2) = 42.2 (6)°.

Crystal structure and Hirshfeld surface analysis of phen-yl(5,7,8a-triphenyl-1,2,3,7,8,8a-hexa-hydro-imidazo[1,2-]pyridin-6-yl)methanone with an unknown solvent.

In the title compound, CHNO, the imidazolidine and pyridine rings of the central hexa-hydro-imidazo[1,2-]pyridine ring system adopt envelope and screw-boat conformations, respectively. The mol-ecule exhibits two weak intra-molecular π-π inter-actions between phenyl rings. In the crystal, mol-ecules are linked pairs of C-H⋯ O hydrogen bonds, forming inversion dimers.

Crystal structure and Hirshfeld surface analysis of ()-1-(2,6-di-chloro-phen-yl)-2-(2-nitro-benzyl-idene)hydrazine.

In the title compound, CHClNO, the 2,6-di-chloro-phenyl ring and the nitro-substituted benzene ring form a dihedral angle of 21.16 (14)°. In the crystal, face-to-face π-π stacking inter-actions occur along the axis direction between the centroids of the 2,6-di-chloro-phenyl ring and the nitro-substituted benzene ring.

Crystal structure and Hirshfeld surface analysis of 2-[(1,3-benzoxazol-2-yl)sulfan-yl]--(2-meth-oxy-phen-yl)acetamide.

In the title compound, CHNOS, the 1,3-benzoxazole ring system is essentially planar (r.m.s deviation = 0.

Crystal structure and Hirshfeld surface analysis of (2)-3-(4-chloro-3-fluoro-phen-yl)-1-(3,4-di-meth-oxy-phen-yl)prop-2-en-1-one.

The mol-ecular structure of the title compound, CHClFO, consists of a 4-chloro-3-fluoro-phenyl ring and a 3,4-di-meth-oxy-phenyl ring linked a prop-2-en-1-one spacer. The mol-ecule has an configuration about the C=C bond and the carbonyl group is with respect to the C=C bond. The F and H atoms at the positions of the 4-chloro-3-fluoro-phenyl ring are disordered over two orientations, with an occupancy ratio of 0.

Crystal structure and Hirshfeld surface analysis of ()-1-(4-chloro-phen-yl)-2-[2,2-di-chloro-1-(4-fluoro-phen-yl)ethen-yl]diazene.

In the title compound, CHClFN, the planes of the 4-fluoro-phenyl ring and the 4-chloro-phenyl ring make a dihedral angle of 56.13 (13)°. In the crystal, mol-ecules are stacked in a column along the axis a weak C-H⋯Cl hydrogen bond and face-to-face π-π stacking inter-actions [centroid-centroid distances = 3.

Crystal structure and Hirshfeld surface analysis of dimethyl (1*,3a*,3a *,6a*,9*,9a*)-3a,5,6,9a-tetra-hydro-1,4,9-1,3a:6a,9-di-epoxy-phenalene-2,3-di-carboxyl-ate.

The title di-epoxy-phenalene derivative, CHO, comprises a fused cyclic system containing four five-membered rings (two di-hydro-furan and two tetra-hydro-furan) and one six-membered ring (cyclo-hexa-ne). The five-membered di-hydro-furan and tetra-hydro-furan rings adopt envelope conformations, and the six-membered cyclo-hexane ring adopts a distorted chair conformation. Two methyl carboxyl-ate groups occupy adjacent positions (2- and 3-) on a tetra-hydro-furan ring.

Erratum: Crystal structure of (E)-N-(3,4-di-meth-oxy-benzyl-idene)morpholin-4-amine. Corrigendum.

The list of authors in the paper by Çelikesir et al. [Acta Cryst. (2014), E70, o935] is corrected.

Crystal structure of 3-(4-chloro-phen-oxy)-4-(2-nitro-phen-yl)azetidin-2-one with an unknown solvate.

In the title compound, C15H11ClN2O4, the central β-lactam ring is approximately planar [maximum deviation = 0.044 (2) Å for the N atom from the mean plane] and subtends dihedral angles of 61.17 (11) and 40.

Crystal structure of 1-(4-meth-oxy-phen-yl)-4-(4-nitro-phen-yl)-3-phen-oxy-azetidin-2-one.

In the title compound, C22H18N2O5, the central β-lactam ring (r.m.s.