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3,4',5,5'-Tetra­meth­oxy-2'-methyl­biphen­yl-4-ol

The asymmetric unit of the title compound, C17H20O5, contains two independent mol­ecules, A and B, with similar geometries [dihedral angles between the phenyl rings = 56.19 (8) and 54.98 (7)°, respectively]. Intra­molecular O—H⋯O hydrogen bonds occur in both mol­ecules. In the crystal, the A mol­ecules form [1overline{1}0] chains linked by O—H⋯O hydrogen bonds from the hydroxyl group to one of the meth­oxy O atoms. The B mol­ecules form O—H⋯O hydrogen bonds to the hydroxyl O atoms of the A mol­ecules and thus act as fixed spacers between the chains of mol­ecule A. Some weak C—H⋯O contacts are also present.




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Poly[di(μ2-2-hy­droxy­propano­ato)cadmium]

The asymmetric unit of the title inorganic–organic salt, poly[di(μ2-2-hy­droxy­propano­ato)cadmium], [Cd(C3H5O3)2]n or [Cd(Hlac)2]n (H2lac = 2-hy­droxy­propanoic acid), comprises of a cadmium cation and two 2-hy­droxy­propano­ate anions. The cadmium cation exhibits a distorted penta­gonal–bipyramidal coordination environment defined by the hy­droxy and carbonyl O atoms of the 2-hy­droxy­propano­ate anions. The coordination mode leads to the formation of layers extending parallel to (010). O—H⋯O hydrogen bonding between the hy­droxy and carbonyl groups stabilizes the structure packing.




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(E)-1-(2-Hy­droxy-6-meth­oxy­phen­yl)-3-(2-meth­oxy­naphthalen-1-yl)prop-2-en-1-one

In the title compound, C21H18O4, the dihedral angle between the naphthelene ring system (r.m.s. deviation = 0.014 Å) and the benzene ring is 9.68 (1)°. The C atom of the meth­oxy group of the naphthalene ring system is almost coplanar with the ring [C—O—C—C = −2.0 (3)°], whereas the C atom of the meth­oxy group of the phenol ring is slightly twisted [C—O—C—C = 6.2 (3)°]. An intra­molecular O—H⋯O hydrogen bond generates an S(6) ring motif.




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3,3'-[(1E,1'E)-Hydrazine-1,2-diylidenebis(ethan-1-yl-1-yl­idene)]bis­(4-hy­droxy-6-methyl-2H-pyran-2-one)

The title compound, C16H16N2O6, lies about an inversion centre at the mid-point of the N—N bond. The mol­ecule features two intra­molecular O—H⋯N and two C—H⋯O hydrogen bonds, each of which forms an S(6) ring motif. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds into infinite zigzag chains propagating along the c-axis direction. π–π stacking inter­actions between the pyrone rings [centroid–centroid distances = 3.975 (2) Å] stack the mol­ecules along b.




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Decacarbon­yl(μ-ethyl­idenimino-1κN:2κC)-μ-hydrido-triangulo-triosmium(3 Os–Os)

The title complex, [Os3(C2H4N)H(CO)10] or [Os3(CO)10(μ-H)(μ-HN=C—CH3-1κN:2κC)], was synthesized in 41.6% yield by reactions between Os3(CO)11(CH3CN) and 2,4,6-tri­methyl­hexa­hydro-1,3,5-triazine. The central osmium triangle has two OsI atoms bridged by a hydride ligand and a μ-HN= C—CH3-1κN:2κC triazine fragment. Three CO ligands complete the coordination sphere around each OsI atom, while the remaining Os0 atom has four CO ligands. Each Os atom exhibits a pseudo-octa­hedral coordination environment, discounting the bridging Os—Os bond.




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2,4-Di­chloro-6-[(2-hy­droxy-5-methyl­anilino)methyl­idene]cyclo­hexa-2,4-dienone

The title compound, C14H11Cl2NO2, has been prepared by the condensation of 3,5-di­chloro­salicyl­aldehyde and 2-amino-4-methyl­phenol. The asymmetric unit consists of two independent mol­ecules, both of which are almost planar; the dihedral angle between the two benzene rings is 10.61 (8)° for one mol­ecule and 2.46 (8)° for the other. There is an intra­molecular N—H⋯O hydrogen bond that generates S(6) ring motifs in each mol­ecule. In the crystal, the two independent mol­ecules are linked by O—H⋯O and C—H⋯Cl hydrogen bonds, forming a pseudo-inversion dimer. A π–π inter­action, with a centroid–centroid distance of 3.6065 (12) Å, is also observed.




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9α-Hy­droxy-4,8-dimethyl-3'-phenyl-3,14-dioxatri­cyclo­[9.3.0.02,4]tetra­dec-7-en-13-one-12-spiro-5'-isoxazole monohydrate

In the title compound, C22H25NO5·H2O, the ten-membered ring displays an approximate chair–chair conformation, whereas the five-membered furan ring has an envelope conformation, with the C atom of the methine group adjacent to the spiro C atom as the flap. The isoxazole ring is almost planar and its plane is slightly inclined to the plane of the attached phenyl ring. The mean plane of the furan ring is nearly perpendicular to that of the isoxazole ring, as indicated by the dihedral angle between them of 89.39 (12)°. In the crystal, the organic mol­ecules are linked into [010] chains by O—H⋯O hydrogen bonds. The water mol­ecule forms O—H⋯O and O—H⋯N hydrogen bonds and a weak C—H⋯O inter­action is also observed. Together, these lead to a three-dimensional network.




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Bis[2-(di­methyl­amino-κN)-α,α-di­phenyl­benzene­methano­lato-κO](tetra­hydro­furan-κO)magnesium(II)

The title magnesium complex, [Mg(C21H20NO2)2(C4H8O)]n, exhibits two N,O-bidentate 2-(di­methyl­amino)-α,α-di­phenyl­benzene­methano­late ligands, form­ing two six-membered chelate rings. The distorted square-pyramidal coordination sphere of the MgII atom is completed by the O atom of a tetra­hydro­furan ligand, with its O atom in the apical position. The O and N atoms are in a mutual trans arrangement. Except for two C—H⋯π inter­actions, no significant inter­molecular inter­actions are observed in the crystal.




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Bis(4-hy­droxy-N,N-di-n-propyl­tryptammonium) fumarate tetra­hydrate

The title compound (systematic name: bis­{[2-(4-hy­droxy-1H-indol-3-yl)eth­yl]bis­(propan-2-yl)aza­nium} but-2-enedioate tetra­hydrate), 2C16H25N2O+·C4H2O42−·4H2O, has a singly protonated DPT cation, one half of a fumarate dianion (completed by a crystallographic centre of symmetry) and two water mol­ecules of crystallization in the asymmetric unit. A series of N—H⋯O and O—H⋯O hydrogen bonds form a three-dimensional network in the solid state.




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(4-Carb­oxy­benz­yl)tri­phenyl­phospho­nium hexa­fluorido­phosphate tetra­hydro­furan monosolvate

The title compound, C26H22O2P+·PF6−·C4H7O, crystallizes as a cation-anion pair with a single solvent mol­ecule in the asymmetric unit. Hydrogen bonding occurs between the carb­oxy­lic acid group on the cation and the oxygen atom of the solvent mol­ecule. Longer hydrogen-bonding inter­actions are observed between fluorine atoms of the anion and H atoms on the phenyl rings of the cation.




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2-[1-(1,3-Dioxo-1,3-di­hydro-2H-inden-2-yl­idene)eth­yl]hydrazinecarbo­thio­amide

The title compound, C12H11N3O2S, was synthesized by a condensation reaction of 2-acetyl­indan-1,3-dione and thio­semicarbazide in ethanol in the presence of glacial acetic acid. The mol­ecule adopts a thio­ketone form. The dihedral angle between the mean planes of 1H-inden-1,3(2H)-dione and hydrazinecarbo­thio­amide units is 86.32 (7)°. Weak intra­molecular N—H⋯O and C—H⋯O hydrogen bonds are observed. In the crystal, mol­ecules are linked via pairs of weak inter­molecular N—H⋯O hydrogen bonds, forming inversion dimers. The dimers are further linked into a three-dimensional network through N—H⋯S and N—H⋯O hydrogen bonds, and π–π inter­actions [centroid–centroid distances = 3.5619 (10)–3.9712 (9) Å].




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2-[(1-Benzyl-1H-1,2,3-triazol-4-yl)meth­oxy]-1-naphthaldehyde

In the title compound, C21H17N3O2, the triazole ring system is inclined at dihedral angles of 4.14 (18) and 69.24 (11)° with the naphthalene ring system and phenyl ring, respectively. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds into double columns propagating along the b-axis direction.




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Ethyl 5-[(eth­oxy­carbon­yl)­oxy]-5,5-di­phenyl­pent-2-ynoate

The title compound, C22H22O5, crystallizes with two mol­ecules in the asymmetric unit, one of which shows disorder of its ethyl acetate group over two sets of sites in a 0.880 (2):0.120 (2) ratio. The C≡C distances in the two mol­ecules are almost the same [1.1939 (16) and 1.199 (2) Å], but the Csp3—C≡C angles differ somewhat [175.92 (12) and 172.53 (16)°]. In the crystal, several weak C—H⋯O inter­actions are seen.




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5-(3-Hy­droxy­phen­yl)-1,3,4-oxa­diazole-2(3H)-thione hemihydrate

The title 1,3,4-oxa­diazole derivative crystallizes as a hemihydrate, C8H6N2O2S·0.5H2O, with the water mol­ecule located on a twofold rotation axis. The 1,3,4-oxa­diazole mol­ecule is essentially planar, the r.m.s. deviation of the non-H atoms being 0.0443 Å. The dihedral angle between the mean planes of the phenyl and oxa­diazole rings is 6.101 (17)°. In the crystal, mol­ecules are linked via O—H⋯S and N—H⋯O hydrogen bonds involving the water mol­ecule, the N—H group and the thione S atom into undulating ribbons. Additional π–π inter­actions generate a two-dimensional supra­molecular framework extending parallel to (001).




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Sodium [N,N'-ethyl­enebis(d-penicillaminato)]indate(III) tetra­hydrate

The asymmetric unit of the title compound {systematic name: sodium [2-({2-[(1-carboxyl­ato-2-methyl-2-sulfanidylprop­yl)amino]­eth­yl}amino)-3-methyl-3-sulf­an­idyl­butano­ato-κ4S,N,N',S']indate(III) tetra­hydrate}, Na[In(C12H20N2O4S2)]·4H2O, contains four indate(III) complex anions {[In(d-ebp)]−; d-H4ebp = N,N'-ethyelenebis(d-penicillamine)], four sodium(I) cations and sixteen water mol­ecules. The indate(III) anions and sodium cations are alternately connected through coordination bonds between Na+ ions and the carboxyl­ate groups of the complex anions, forming an infinite sixfold right-handed helix along the c-axis direction. In the crystal, the helices are linked by O—H⋯O hydrogen bonds between water mol­ecules bound to Na+ ions and carboxyl­ate groups. The crystal studied was twinned via a twofold axis about [001].




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[Oxybis(ethane-1,2-di­yl)]bis­(di­methyl­ammonium) octa­molybdate dihydrate

The title compound, (C8H22N2O)2[Mo8O26]·H2O, (cis-H2L)2[β-Mo8O26]·H2O, where L = (bis­[2-N,N-di­methyl­amino)­eth­yl] ether), was synthesized from bis­[2-(di­methyl­amino)­eth­yl] ether and MoO3 under solvothermal conditions and characterized by multinuclear NMR and single-crystal X-ray diffraction techniques. The structure displays two [oxybis(ethane-1,2-di­yl)]bis­(di­methyl­ammonium), or [cis-H2L]2+, cations, a central [β-Mo8O26]4− anionic cluster consisting of eight distorted MoO6 octa­hedra, and two water mol­ecules in their deuterated form. The central anion lies across an inversion center. The [cis-H2L]2+ cations are hydrogen bonded to the central [β-Mo8O26]4− cluster via bridging water mol­ecules. In the crystal, O—H⋯O hydrogen bonds link the components into chains along [010]. Weak C—H⋯O hydrogen bonds link these chains into a three-dimensional network.




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(E)-1-(5-Methyl­thio­phen-2-yl)-N-(4-nitro­phen­yl)methanimine

The title compound, C12H10N2O2S, was synthesized via the acid-catalyzed condensation of 4-nitro­aniline and 5-methyl-2-thio­phene­carboxaldehyde in a methanol–water solution. The dihedral angle between the benzene and thio­phene rings is 54.62 (3)°. No directional inter­actions could be identified in the extended structure.




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Di-μ3-chlorido-tetra-μ2-chlorido-di­chloridotetra­kis­(N,N-di­ethyl­ethane-1,2-di­amine-κ2N,N')tetra­cadmium(II)

In the title compound, [Cd4Cl8(C6H16N2)4], the Cd2+ cations and Cl− anions form M4Cl8 clusters with six of the Cl− ions bridging Cd2+ cations and two being pendant. Each Cd2+ cation has distorted octa­hedral coordination completed by four Cl− ions and two N atoms of the asymmetrical bidentate amino ligand. The cluster consists of pairs of face-sharing hexa­hedra linked by a shared edge.




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(2,2'-Bi­pyridine-κ2N,N')(pyridine-2,6-di­carboxyl­ato-κ2N,O)palladium(II) monohydrate

In the title compound, [Pd(C7H3NO4)(C10H8N2)]·H2O, the PdII cation is four-coordinated in a distorted square-planar coordination geometry defined by the two N atoms of the 2,2'-bi­pyridine ligand, one O atom and one N atom from the pyridine-2,6-di­carboxyl­ate anion. The complex and solvent water mol­ecule are linked by inter­molecular hydrogen bonds. In the crystal, the complex mol­ecules are stacked in columns along the a axis.




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1,1,3,3-Tetra­ethyl-5-nitro­isoindoline

The title compound, C16H24N2O2, previously obtained as a yellow oil, exhibits a rather low melting point close to room temperature 297–298 K). In the mol­ecule, the isoindoline ring system is approximately planar and coplanar to the nitro group, forming a dihedral angle of 5.63 (15)°. In the crystal, only weak N—H⋯O and C—H⋯π inter­actions are observed, linking mol­ecules into chains parallel to the [101] direction.




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Diethyl 4-(3-chloro­phen­yl)-2,6-diphenyl-1,4-di­hydro­pyridine-3,5-di­carboxyl­ate

In the title compound, C29H26ClNO4, the di­hydro­pyridine ring adopts a shallow boat conformation. The mean plane of the di­hydro­pyridine ring (all atoms) subtends dihedral angles of 66.54 (1), 73.71 (1) and 79.47 (1)° with the two phenyl rings and the chloro­phenyl ring, respectively. In the crystal, N—H⋯O hydrogen bonds link the mol­ecules into [001] chains.




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Poly[1-ethyl-3-methyl­imidazolium [tri-μ-iso­thio­cyanato-manganate(II)]]

The title compound, {(C9H11N2)[Mn(NCS)3]}n, has been obtained as a side product of the salt metathesis reaction of 1-ethyl-3-methyl­imidazolium bromide, (EMIm)Br, and K2[Mn(NCS)4]. The structure consists of discrete 1-ethyl-3-methyl­imidazolium cations and an anionic two-dimensional network of manganese(II)-based complex anions, inter­connected by thio­cyanate ions. Every Mn2+ ion is coordinated by three S atoms of three NCS− ions and three N atoms of further three NCS− ions in a meridional octa­hedral fashion.




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5,5'-(1-Phenyl­ethane-1,1-di­yl)bis­(1H-pyrrole-2-carboxaldehyde)

In the title compound, C18H16N2O2, the dihedral angle between the pyrrole rings is 79.47 (9)°, with the N—H groups approximately orthogonal (H—N⋯N—H pseudo torsion angle = −106°). In the crystal, N—H⋯O hydrogen bonds link the mol­ecules into [11overline{1}] chains. A C—H⋯O inter­action is also observed.




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Bis{2,6-bis­[(E)-(4-fluoro­benzyl­imino)­meth­yl]pyridine}­nickel(II) dinitrate dihydrate

In the title hydrated salt, [Ni(C21H17F2N3)2](NO3)2·2H2O, the central NiII ion is coordinated by six N atoms from two tridentate chelating 2,6-bis­[(E)-(4-fluoro­benzyl­imino)­meth­yl]pyridine ligands. While the central NiII ion is six-coordinate, its environment is distorted from an octa­hedral structure because of the unequal Ni—N distances. The Ni—N bond lengths vary from 1.8642 (14) to 2.2131 (15) Å, while the N—Ni—N angles range from 79.98 (6) to 104.44 (6)°. Three coordinating sites of each chelating agent are almost coplanar with respect to the pyridine ring, and two pyridine moieties are perpendicular to each other. Two non-coordinating nitrate anions within the asymmetric unit balance the charges of the central metal ion, and are linked with two crystal water mol­ecules, forming a water–nitrate cyclic tetra­meric unit [O⋯O = 2.813 (2) to 3.062 (2) Å]. In an isolated mol­ecule, the fluoro­phenyl rings of one ligand are stacked with the central ring of the other ligand via π–π inter­actions, with the closest centroid-to-plane distances being 3.359 (6), 3.408 (5), 3.757 (6) and 3.659 (5) Å.




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4-Chloro-2-[1-(4-ethyl­phen­yl)-4,5-diphenyl-1H-imidazol-2-yl]phenol

In the title compound, C29H23ClN2O, the 5-chloro­phenol ring and the imidazole ring are nearly coplanar, with a dihedral angle of 15.76 (9)° between them. The ethyl­phenyl ring and the two phenyl rings subtend angles of 71.09 (7), 43.95 (5) and 36.53 (9)°, respectively, with the imidazole plane. An intra­molecular O—H⋯N hydrogen bond supports the mol­ecular conformation, and an inter­molecular C—H⋯O inter­action, originating from an ortho-phenyl H atom, stabilizes the packing arrangement. In addition, a weak C—H⋯π inter­action, also involving an ortho-phenyl H atom, is observed.




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N'-(2-Hy­droxy-3-meth­oxy­benzyl­idene)pyrazine-2-carbohydrazide monohydrate

In the title hydrated Schiff base, C13H12N4O3·H2O, the dihedral angle between the aromatic rings is 5.06 (11)° and an intra­molecular O—H⋯N hydrogen bond closes an S(6) ring. In the crystal, Ow—H⋯O and Ow—H⋯N (w = water) hydrogen bonds link the components into centrosymmetric tetra­mers (two Schiff bases and two water mol­ecules). Longer N—H⋯O hydrogen bonds link the tetra­mers into [010] chains. A weak C—H⋯O hydrogen bond and aromatic π–π stacking between the pyrazine and phenyl rings [centroid–centroid separations = 3.604 (2) and 3.715 (2) Å] are also observed.




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Di­chlorido­bis­[2-(pyridin-2-yl-κN)-1H-benzimidazole-κN3]nickel(II) monohydrate

In the title complex, [NiCl2(C12H9N3)2]·H2O, a divalent nickel atom is coordinated by two 2-(pyridin-2-yl)-1H-benzimidazole ligands in a slightly distorted octa­hedral environment defined by four N donors of two N,N'-chelating ligands, along with two cis-oriented anionic chloride donors. The title complex crystallized with a water mol­ecule disordered over two positions. In the crystal, a combination of O—H⋯Cl, O—H.·O and N—H⋯Cl hydrogen bonds, together with C—H⋯O, C—H⋯Cl and C—H⋯π inter­actions, links the complex mol­ecules and the water mol­ecules to form a supra­molecular three-dimensional framework. The title complex is isostructural with the cobalt(II) dichloride complex reported previously [Das et al. (2011). Org. Biomol. Chem. 9, 7097–7107].




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Diethyl 4-(1H-imidazol-2-yl)-2,6-dimethyl-1,4-di­hydro­pyridine-3,5-di­carboxyl­ate

In the title compound, C16H21N3O4, the 1,4-di­hydro­pyridine ring adopts a flattened boat conformation, with the imidazole substituent in an axial orientation [dihedral angle between ring planes = 82.9 (6)°]. In the crystal structure, pairs of N—H⋯O and N—H⋯N hydrogen bonds with graph-set notation R22(14) connect the mol­ecules into chains running along the c-axis direction.




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Bis(4-phenyl-2-sulfanyl­idene-2,3-di­hydro-1,3-thia­zol-3-ido-κ2S2,N)(4-phenyl-1,3-thia­zole-2-thiol­ato-κS2)bis­muth

The title compound, [Bi(C9H6NS2)3], was prepared by reacting BiCl3 and 2-mercapto-4-phenyl­thia­zole (LH) at room temperature in a stoichiometric ratio of 1:4. The mol­ecular structure reveals a slightly distorted square-pyramidal environment around the BiIII atom. Two of the three monoanionic ligands L− coordinate in an N,S-bidentate mode, while one shows a monodentate mode through an S atom. There are no significant inter­molecular inter­actions present in the crystal.




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(E)-1-(4-Fluoro-2-hy­droxy­phen­yl)-3-(2,3,4-tri­meth­oxy­phen­yl)prop-2-en-1-one

In the title mol­ecule, C18H17FO5, the conformation about the C=C bond of the central enone group is trans. The dihedral angle between the benzene rings is 13.08 (3)°. The hy­droxy group attached to the benzene ring is involved in an intra­molecular O—H⋯O hydrogen bond. In the crystal, weak C—H⋯O hydrogen bonds link the mol­ecules into chains along [001].




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[4-(4-Meth­oxy­phen­yl)-8-oxo-3-(phenyl­selan­yl)spiro­[4.5]deca-3,6,9-trien-2-yl]methyl­cyanamide

The title compound, C25H22N2O2Se, crystallizes in the space group P21/c with one mol­ecule in the asymmetric unit. The compound was synthesized by the addition of phenyl­selenyl bromide to a cyanamide. The phenyl­selenyl portion and the cyano group, as well as the ketone functional group in the cyclo­hexa-2,5-dien-1-one portion of the structure, are disordered, with occupancy factors of 0.555 (14) and 0.445 (14).




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Benzene-1,2-diaminium bis­(4-methyl­benzene-1-sulfonate)

The structure of the title salt, C6H10N22+·2C7H7O3S−, consists of a unique benzene-1,2-diaminium dication charge balanced by a pair of crystallographically independent 4-methyl­benzene-1-sulfonate anions. The cations and anions are inter­linked by several N—H⋯O hydrogen bonds.




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3-(4-Iodo­phen­yl)-2,3-di­hydro-1H-benzo[f]chromen-1-one

In the title compound, C19H13IO2, the dihedral angle between the naphthyl ring system and the pendant iodo­phenyl ring is 72.48 (11)°. In the crystal, C—H⋯π inter­actions and I⋯O [3.293 (2) Å] halogen bonds are observed, which combine to generate a herringbone packing motif.




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5-Methyl-4-(5-methyl-3-oxo-2-phenyl-2,3-di­hydro-1H-pyrazol-4-yl)-2-phenyl-1H-pyrazol-3(2H)-one

The title compound, C20H18N4O2, known as bis­pyrazolone, was crystallized from dimethyl sulfoxide. The structure has ortho­rhom­bic (Pbca) symmetry at 150 K, and displays both intra- and inter­molecular hydrogen bonding through C—H⋯O and N—H⋯O contacts, respectively. None of the phenyl and pyrazolone rings in the mol­ecule are coplanar. The dihedral angle between the pyrazolone rings is 66.18 (5)°.




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N-[(E)-Quinolin-2-yl­methyl­idene]-1,2,4-triazol-4-amine hemihydrate

The title hemihydrate, C12H9N5·0.5H2O, was isolated from the condensation reaction of quinoline-2-carbaldehyde with 4-amino-4H-1,2,4-triazole. The Schiff base mol­ecule adopts an E configuration about the C=N bond and is approximately planar, with a dihedral angle between the quinoline ring system and the 1,2,4-triazole ring of 12.2 (1)°. In the crystal, one water mol­ecule bridges two Schiff base mol­ecules via O—H⋯N hydrogen bonds. The Schiff base mol­ecules are inter­connected by π–π stacking inter­actions [centroid-centroid distances of 3.7486 (7) and 3.9003 (7) Å] into columns along [1overline{1}0].




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(3S,5R,6S)-Di­phenyl­methyl 1-oxo-6-bromo­penicillanate

In the title compound, C21H20BrNO4S, a key inter­mediate in the synthesis of the widely used β-lactamase inhibitor tazobactam, the five-membered thia­zolidine ring adopts an envelope conformation and the four-membered azetidine ring is in a distorted planar conformation. The crystal structure features C—H⋯O hydrogen bonds and a weak C—H⋯π inter­action.




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Dicaesium tetra­magnesium penta­kis­(carbonate) deca­hydrate, Cs2Mg4(CO3)5·10H2O

The title carbonate hydrate, Cs2Mg4(CO3)5·10H2O, was crystallized at room temperature out of aqueous solutions containing caesium bicarbonate and magnesium nitrate. Its monoclinic crystal structure (P21/n) consists of double chains of composition 1∞[Mg(H2O)2/1(CO3)3/3], isolated [Mg(H2O)(CO3)2]2– units, two crystallographically distinct Cs+ ions and a free water mol­ecule. The crystal under investigation was twinned by reticular pseudomerohedry.




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Hydro­nium bis­(tri­fluoro­methane­sulfon­yl)amide–18-crown-6 (1/1)

The structure of the title compound, H3O+·C2F6NO4S2−·C12H24O6 or [H3O+·C12H24O6][N(SO2CF3)2−], which is an ionic liquid with a melting point of 341–343 K, has been determined at 113 K. The asymmetric unit consists of two crystallographically independent 18-crown-6 mol­ecules, two hydro­nium ions and two bis­(tri­fluoro­methane­sulfon­yl)amide anions; each 18-crown-6 mol­ecule complexes with a hydro­nium ion. In one 18-crown-6 mol­ecule, a part of the ring exhibits conformational disorder over two sets of sites with an occupancy ratio of 0.533 (13):0.467 (13). One hydro­nium ion is complexed with the ordered 18-crown-6 mol­ecule via O—H⋯O hydrogen bonds with H2OH⋯OC distances of 1.90 (6)–2.19 (7) Å, and the other hydro­nium ion with the disordered crown mol­ecule with distances of 1.85 (6)–2.36 (6) Å. The hydro­nium ions are also linked to the anions via O—H⋯F hydrogen bonds. The crystal studied was found to be a racemic twin with a component ratio of 0.55 (13):0.45 (13).




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2,2'-[Methyl­enebis(sulfanedi­yl)]bis­(pyridine 1-oxide)

The title compound, C11H10N2O2S2, crystallizes with one complete mol­ecule in the asymmetric unit. In the crystal, weak hydrogen bonding is observed between the N-oxide moieties and several C—H units.




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6-[(tert-Butyl­dimethyl­sil­yl)­oxy]-3-ethenyl-7-meth­oxy-4-[(tri­methyl­sil­yl)ethyn­yl]naphtho­[2,3-c]furan-1(3H)-one

The tricyclic core in the title compound, C26H34O4Si2, shows disorder of the furan ring and deviates slightly from planarity, with the largest displacement from the least-squares plane [0.166 (2) Å] for the major disordered part of the methine C atom. To this C atom the likewise disordered vinyl group is attached, lying nearly perpendicular to the tricyclic core. In the crystal, mutual C—H⋯π inter­actions between the methine group of the furan ring and the central ring of the tricyclic core of an adjacent mol­ecule lead to inversion-related dimers.




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2-Amino­anilinium 4-methyl­benzene­sulfonate

In the extended structure of the title mol­ecular salt, C6H9N2+·C7H7O3S−, the cations and anions are linked by N—H⋯O hydrogen bonds to generate [010] chains.




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1,3-Bis(2-oxoprop­yl)thymine

In the title compound [systematic name: 5-methyl-1,3-bis­(2-oxoprop­yl)pyrimidine-2,4(1H,3H)-dione], C11H14N2O4, the two 2-oxopropyl groups are nearly perpendicular to the planar thymine unit. One methyl group of oxopropyl substituent is disordered. In the crystal, C—H⋯O inter­actions help to connect the mol­ecules into (001) layers.




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Bis(N-adamantyl-N'-ethyl­imidazolium) tetra­bromido­manganate(II)

The title compound, (C15H23N2)2[MnBr4], comprises two N-adamantyl-N'-ethyl­imidazolium cations and one tetra­hedral [MnBr4]2− anion. Next to Coulombic inter­actions, weak hydrogen bonds of the type C—H⋯Br consolidate the crystal packing, building up a three-dimensional network.




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[(1R*,3S*,4S*)-3-(2-Hy­droxy­benzo­yl)-1,2,3,4-tetra­hydro-1,4-ep­oxy­naphthalen-1-yl]methyl 4-nitro­benzoate

The relative stereo- and regiochemistry of the racemic title compound, C25H19NO7, were established from the crystal structure. The fused benzene ring forms dihedral angles of 77.3 (1) and 60.3 (1)° with the hy­droxy-substituted benzene ring and the nitro-substituted benzene ring, respectively. The dihedral angle between the hy­droxy-substituted benzene ring and the nitro-substituted benzene ring is 76.4 (1)°. An intra­molecular O—H⋯O hydrogen bond closes an S(6) ring. In the crystal, weak C—H⋯O hydrogen bonds connect the mol­ecules, forming layers parallel to (100). Within these layers, there are weak π–π stacking inter­actions with a ring centroid–ring centroid distance of 3.555 (1) Å.




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1,2,3,5-Tetra­hydro­naphtho­[2,1-c]oxepine

In the title compound, C14H14O, the seven-membered ring is in a pseudo-chair conformation. In the crystal, mol­ecules are linked by weak C—H⋯O hydrogen bonds forming layers parallel to (010). In addition, there are weak π–π stacking inter­actions between inversion-related naphthalene ring systems, with a ring centroid–ring centroid distance of 3.518 (5) Å.




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12-Ethyl-6a,10a-di­hydro-5H-6-oxachrysene

In the title compound, C19H16O, the pyran ring is in a half-chair conformation. The essentially planar naphthalene ring system (r.m.s. deviation = 0.020 Å) forms a dihedral angle of 14.37 (5)° with the fused benzene ring. In the crystal, pairs of mol­ecules are connected into inversion dimers by weak C—H⋯O hydrogen bonds to generate R22(6) loops.




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Bis(3-methyl-1-propyl-1H-imidazol-3-ium) bis­(4,6-disulfanidyl-4,6-disulfanyl­idene-1,2,3,5,4,6-tetra­thia­diphosphinane-κ3S2,S4,S6)nickel

The title salt, (PMIM)2[Ni(P2S8)2] (PMIM = 3-methyl-1-propyl-1H-imidazol-3-ium, C7H13N2+), consists of a nickel–thio­phosphate anion charge-balanced by a pair of crystallographically independent PMIM cations. It crystallizes in the monoclinic space group P21/n. The structure exhibits the known [Ni(P2S8)2]2− anion with two unique imidazolium cations in the asymmetric unit. Whereas one PMIM cation is well ordered, the other is disordered over two orientations with refined occupancies of 0.798 (2) and 0.202 (2). The salt was prepared directly from the elements in the ionic liquid [PMIM]CF3SO3. Whereas one of the PMIM cations is well behaved (it does not exhibit disorder even in the propyl side chain), the other is found in two overlapping positions. The refined occupancies for the two orientations are roughly 80:20. Here, too, there appears to be little disorder in the propyl arm.




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[1–9-NαC]-Linusorb B3 (Cyclo­linopeptide A) dimethyl sulfoxide monosolvate

Crystals of the dimethyl sulfoxide (DMSO) solvate of [1–9-NαC]-linusorb B3 (Cyclo­linopeptide A; CLP-A; C57H84N9O9·C2H6OS), a cyclic polypeptide were obtained following peptide extraction and purification from flaxseed oil. There are four intramolecular N—H⋯O hydrogen bonds. In the crystal, the mol­ecules are linked in chains along the a axis by N—H⋯O hydrogen bonds. Each DMSO O atom accepts a hydrogen bond from an NH group at the Phe6 location in the CLP-A mol­ecule.




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12,15-Dimethyl-8-oxa­tetra­cyclo­[8.8.0.02,7.011,16]octa­deca-1(18),2,4,6,11(16),12,14-heptaen-10-ol

In the title compound, C19H18O2, the pyran ring is in a half-chair conformation. The fused ring system comprising the benzene and cyclo­hexene rings is essentially planar (r.m.s. deviation = 0.053 Å) and forms a dihedral angle of 27.95 (6)° with the other benzene ring. In the crystal, O—H⋯O hydrogen bonds connect the mol­ecules into chains propagating along [001].




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(E)-6-(Furan-2-yl­methyl­idene)-6,7,8,9-tetra­hydro­pyrido[2,1-b]quinazoline-11-thione

A quinazolinthione, C17H14N2OS, was synthesized by the condensation reaction of 6,7,8,9-tetra­hydro-11H-pyrido[2,1-b]quinazolin-11-thione with furfural. The mol­ecule crystallizes in the monoclinic system (Cc space group) and has an E configuration with respect to the exocyclic C=C bond. In the crystal, mol­ecules are linked through C—H⋯π(furan) inter­actions, forming zigzag chains propagating along the [001] direction.