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Journal logoIUCrDATA
ISSN: 2414-3146

June 2016 issue

Highlighted illustration

Cover illustration: The complex (N-{Amino­[(di­amino­methyl­idene)amino]­methyl­idene}-N-methyl­methanaminium)tri­bromido­zinc(II), [ZnBr3(C4H12N5)], is of inter­est as a potential anti­diabetic drug of the biguanide family. The ZnII cation is tetra­hedrally coordinated by three bromide ions and the (N-{amino­[(di­amino­methyl­ene)amino]­methyl­ene}-N-methyl­methanaminium) cation that binds through the central N atom. The crystal structure features an extensive series of N-H...Br and C-H...Br hydrogen bonds, which combine to form a three-dimensional network structure. See: Germán-Acacio, Rivas Arzate, Cardenas-Valencia, Flores-Alamo & Morales-Morales [IUCrData (2016). 1, x160855].

metal-organic compounds


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In the title complex, the metal zinc atom is tetra-coordinated by three bromide atoms and one nitro­gen atom of the MetforminH+ ligand.

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In the title complex, the asymmetric di­thio­cine derivative adopts a boat conformation on coordinating to a PdCl2 fragment.

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In the title compound, [K(C12H24O6][Fe(C10H15)(CO)2], one carbonyl group of the [FeCp*(CO)2] anion inter­acts with the potassium cation that is embedded in an 18-crown-6 mol­ecule. Intra- and inter­molecular C—H⋯O inter­actions are present in the crystal.

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The main structural feature of the title structure are mol­ecular chains extending parallel to [101] with boric acid solvent mol­ecules in between. The crystal structure is consolidated by O—H⋯O hydrogen bonds.

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The title compound features a dinuclear chloride-bridged palladium complex bearing two equivalents of the novel monoanionic mixed valent (λ3-P)—N—(λ5-P) ligand.

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The crystal structure of the title compound contains of polymeric sheets extending parallel to (010). In the centrosymmetric dinuclear bridged repeat unit, the Cs+ cation has an irregular O6 coordination set.

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One of the two unique CuI atoms in the title structure has a linear coordination whereas the other is tetra­hedrally coordinated.

organic compounds


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The title acetamide crystallizes with two independent mol­ecules in the asymmetric unit whose geometrical features are similar. In the crystal, mol­ecules are linked via C—H⋯N hydrogen bonds which form C(10) chains along the [\overline{1}00] direction.

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The indole ring systems are oriented orthogonally while the fluoro­phenyl ring is nearly perpendicular to one of the indole ring systems and twisted by 63.6 (6)° from the other. In the crystal, N—H⋯π, C—H⋯π and C—H⋯F inter­actions occur, forming a three-dimensional network.

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The cyclo­hexane ring of the title compound has a chair conformation. The crystal structure is stabilized by inter­molecular N—H⋯N and N—H⋯S hydrogen bonds, forming a three-dimensional network.

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The title compound lies on a mirror plane. In the crystal, mol­ecules are linked by Br⋯N and Br⋯Br inter­actions, forming zigzag chains along [010].

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The title mol­ecule, C9H6ClNO2, is almost planar, with an r.m.s. deviation of 0.0922 (19) Å. In the crystal, mol­ecules are connected through methyl-C—H⋯O(carbon­yl) inter­actions into supra­molecular helical chains along the b axis.

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The title compound contains two independent mol­ecules in the asymmetric unit which differ modestly in their conformations. The independent mol­ecules each self-associate to form layers in the crystal structure through N—H⋯O and C—H⋯O hydrogen bonding.

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In the title compound, the piperdine ring adopts a chair conformation. The dihedral angles between its mean plane and the two benzene rings are 45.5 (3) and 28.0 (3)°, while the benzene rings are inclined to one another by 54.5 (3)°.

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This paper reports a 5/6 spiro-fused system with the five- and six-membered rings inclined to one another at 89.79 (5)°. The crystal structure is stabilized by inter­molecular C—H ⋯ O hydrogen bonds.

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In the title acetamide, C11H8Cl2N2OS, the chloro­phenyl ring is oriented at an angle of 7.1 (1)° with respect to the thia­zole ring. In the crystal, mol­ecules are linked via C—H⋯O inter­molecular inter­actions, forming C(10) chains propagating in a zigzag manner along the b axis.

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Weak C—H⋯O hydrogen bonds form ribbons parallel to (010). Two such chains are associated via offset π-stacking inter­actions between a six-membered ring in one chain and a five-membered ring in the other with a 3.7361 (9) Å separation.

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In the the title compound, the planes of the two nitro groups make dihedral angles of 54.77 (8) and 55.60 (3)° with the anthra­quinone ring system, which is essentially planar. In the crystal, mol­ecules are linked by short inter­molecular O⋯O contacts, leading to a three-dimensional network structure.

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The chain of the ester group adopts an extended conformation. In the crystal, inversion dimers linked by pairs of C—H⋯O hydrogen bonds generate R_{2}^{2}(10) loops and further such bonds connect the dimers into `stair-step' chains propagating in [100].

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The title compound, C15H10ClNO2, crystallizes with two mol­ecules in the asymmetric unit with almost identical conformations.

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In the title compound, the allyl group is almost perpendicular to the 5-chloro­indoline-2,3-dione ring system, with a dihedral angle of 88.0 (3)°.

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The fused thia­zine ring in the title compound has a screw-boat conformation.

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In the title compound, the two aromatic rings are inclined to one another by 68.19 (9)°. In the crystal, mol­ecules are linked by C—H⋯π inter­actions, forming chains propagating along [010].

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In the crystal structure of the title mol­ecule, C8H11N7O·H2O, a network of O—H⋯O, O—H⋯N, N—H⋯O and N—H⋯N hydrogen bonds links the components, forming layers which include the lattice water mol­ecules. The layers are held together by π–π stacking inter­actions.

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In the title compound, C14H15Br2NO2, the dihedral angle between the mean plane passing through the bromo­hexyl chain and the and 5-bromo­indoline ring system [r.m.s. deviation = 0.044 (4) Å] is 70.0 (3)°.

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The title compound forms centrosymmetric dimers that are linked by O—H⋯O hydrogen bonds into supra­molecular chains. These chains are linked into sheets in the bc plane by C—H⋯O hydrogen bonds.

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The two independent carboxamide mol­ecules in the asymmetric unit differ primarily in the orientations of the peripheral methyl and amino groups. Hydrogen bonding with the lattice water mol­ecules plays a dominant role in forming the cross-linked layer structure in the crystal.

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The centrosymmetric title compound contains two benzoyl­thio­ureido groups linked by an ethyl­ene group. Inter­molecular N—H⋯S hydrogen bonds form one-dimensional chains along b.

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The title compound has crystallographically imposed centrosymmetry. The packing is assisted by N—H⋯O, C—H⋯O and N—H⋯S inter­actions with the lattice solvent mol­ecules.

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In the cation, the pyridine ring is protonated at the N atom and the anion is deprotonated at the hy­droxy O atom. The crystal structure is stabilized by N—H⋯O and O—H⋯O hydrogen bonds and further by weak C—H⋯O, C—H⋯π and π–π inter­actions.

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The title compound contains a terpyridine unit bearing a di­meth­oxy­phenyl substituent at the 4-position of the central pyridine ring.

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In the structure of the title compound, the mean plane through the fused-ring system makes a dihedral angle of 61.00 (18)°, with the mean plane passing through the 1-dodecyl chain.

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A triclinic polymorph of 3,4-bis­(6-bromo­pyridin-3-yl)-1,2,5-thia­diazole is presented.

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The indazole ring system and the nitro groups are nearly coplanar. The crystal structure is stabilized by hydrogen bonds and π–π stacking inter­actions.

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The title compound displays zwitterionic properties and may serve as a ligand to construct extended complexes when coordinating to metal ions, including metal–organic frameworks.

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In the title compound, C10H7NO3·H2O, O—H⋯O hydrogen bonds form stepped sheets approximately parallel to {010} which are tied together by pairwise N—H⋯O inter­actions.

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In the crystal structure of bis­(creatininium) 3-nitro­phthalate monohydrate, the components are linked via inter­molecular N—H⋯O, N—H⋯N and C—H⋯O inter­actions.

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Mol­ecules of (5Z)-5-(4-chloro­benzyl­idene)-1,3-thia­zolidine-2,4-dione form undulating ribbons running approximately parallel to (101) through N—H⋯O hydrogen bonds.

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In the crystal of the title mol­ecular salt, the cations and anions are linked via N—H⋯O hydrogen bonds, forming a centrosymmetric 2 + 2 aggregate with R_{2}^{2}(8) and R_{4}^{2}(8) loops.

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The mol­ecules of 1,3-bis­(1-methyl-5-sulfanyl­idene-1,2,4-triazolin-4-yl)urea form chains by N—H⋯O hydrogen bonds.

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The title compound is a dipyrro­methane derivative with the three H atoms of the methane mol­ecule substituted by two pyrrole rings and one 4-bromo­phenyl moiety.

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Apart from the methyl H atoms, all atoms of the structure are almost coplanar. The mol­ecules are linked by π–π inter­actions, forming stacks parallel to the c axis..

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The phenyl and the 5-di­hydro­isoxazol-5-yl rings of the title mol­ecule are almost coplanar. The thia­zin-3-yl ring adopts a screw-boat conformation. In the crystal, the mol­ecules are inter­connected by C—H⋯O and C—H⋯N hydrogen bonds.

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The seven-membered diazepinone ring of this benzodiazepin-2-one derivative adopts a boat conformation. C—H⋯O hydrogen bonds link mol­ecules into double chains.

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In the mol­ecule, the pyrazole ring adopts a twisted conformation and is linked to three aromatic rings with different dihedral angles.

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In the sulfamethizole–2-amino-4,6-di­meth­oxy­pyrimidine (1/1) co-crystal, the components are linked into dimers by pairs of N—H⋯N hydrogen bonds.

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In the mol­ecular salt 5,7,7,12,14,14-hexa­methyl-4,11-di­aza-1,8-diazo­nia­cyclo­tetra­deca-4,11-diene bis­(methane­sulfonate), the centrosymmetric macrocyclic mol­ecule has all four N atoms oriented towards the inside of the cavity, similar to its conformation in metal complexes.

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The conformation of the mol­ecule of (4E)-1-phenyl-4-[(piperidin-1-yl)methyl­idene]pyrazolidine-3,5-dione is partially determined by an intra­molecular C—H⋯O hydrogen bond, while a combination of N—H⋯O and C—H⋯O hydrogen bonds organizes the mol­ecules into chains parallel to the a axis.
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