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Journal logoIUCrDATA
ISSN: 2414-3146

November 2017 issue

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Cover illustration: In poly[[([mu]2-oxalato)[[mu]2-1,2-(pyridin-4-yl)ethyl­ene]zinc(II)] dihydrate], {[Zn([mu]2-C4O4)([mu]2-C12H10N2)]·2H2O}n, 2-butyndioate and 1,2-bis­(pyridin-4-yl)ethyl­ene ligands bridge ZnII ions to form a three-dimensional network. The three-dimensional networks are fivefold inter­penetrated, and each network features a 4-connected unimodal net with a Schläfli symbol of 66 (dia) with the ZnII ions as the nodes. Twofold rotation axes are located at the ZnII ions and the midpoints of the C[triple bond]C bond of 2-butyndioate and the C=C bond of 1,2-bis­(pyridin-4-yl)ethyl­ene. The coordination geometry around the ZnII ions is tetra­hedral constructed from two O atoms from 2-butyndioate and two N atoms from 1,2-bis­(pyridin-4-yl)ethyl­ene. Solvate water mol­ecules are connected with each other via hydrogen bonds to create chains running parallel to [010] that are captured in infinite channels of the three-dimensional framework through hydrogen bonds to the non-coordinating carboxyl­ate O atoms of the 2-butyndioate units. The water mol­ecules are disordered, with two alternative positions that are distinguished by the direction of the chains, but that share the H atom hydrogen bonded to the carboxyl­ate O atom. See: Lee & Kim [IUCrData (2017). 2, x171642].

metal-organic compounds


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2-Butyndioate and 1,2-bis­(pyridin-4-yl)ethyl­ene ligands bridge ZnII ions to form a three-dimensional network. The three-dimensional networks are fivefold inter­penetrated, and each network features a 4-connected unimodal net with a Schläfli symbol of 66 (dia) with the ZnII ions as the nodes.

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Zwitterionic monoclinic C10H9CoO3S was obtained as yellow crystals.

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In the crystal structure of the dimeric title compound, the metal cations are connected through a double bridge involving uncharged ethyl 4-(phenyl­azophenol)benzoate ligands. The dimeric species are arranged parallel [001] through O—H⋯O and O—H⋯N hydrogen-bonding inter­actions.

organic compounds


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The mol­ecular and crystal structure of non-planar 2-(3-bromo-4-meth­oxy­phen­yl)-3-nitro­pyridine is reported.

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The structure of the title imidazolidinedione derivative is reported. The crystal packing is stabilized by N—H⋯O, C—H⋯O and C—H⋯π(ring) hydrogen bonds.

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The cyclo­hexane ring of the title compound adopts a perfect chair conformation. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds.

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The structure of an anilinium chloride salt is reported. The crystal structure is stabilized by a series of N—H⋯Cl and C—H⋯Cl hydrogen bonds together with weak offset π-stacking inter­actions.

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The mol­ecular and crystal structure of a chalcone derivative is reported. In the crystal, mol­ecules are linked by a weak C—H⋯O and C—H⋯Cl hydrogen bonds, forming a chain propagating along the b-axis direction.

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The crystal and mol­ecular structures of 2,6-di­bromo-4-nitro­benzo­nitrile are reported. Each peripheral substituent atom participates in CN⋯Br contacts, or weak C—H⋯O hydrogen bonds, forming planar sheets. Adjacent sheets stack about a glide plane.

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The cation is protonated at the pyridine N atom and the anion is deprotonated at the hydroxyl O atom. The crystal structure features weak inter­ionic N—H⋯O, O—H⋯O hydrogen bonds and weak C—H⋯O contacts.

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The meth­oxy­phenyl-substituted ring makes a dihedral angle of 6.79 (5)° with the quinoline ring system. In the crystal, mol­ecules are linked by weak C—H⋯N and C—H⋯O hydrogen bonds, forming a two-dimensional network. π–π stacking inter­actions also occur.

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The title compound was obtained by the reaction of (E)-1-(pyridin-4-yl)propan-1-one oxime and para-toluene­sulfonic acid. The pyridine ring makes a dihedral angle of 54.70 (10)° with the phenyl ring. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds, forming a chain along the c-axis direction.

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The structure of a mixed halide (Cl/Br) salt of a selenenyl cation has been determined in which the cations, anions and water mol­ecules are linked by hydrogen bonds into chains.

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The asymmetric unit of the title compound contains two independent mol­ecules. The two mol­ecules form a dimer via a C—H⋯O hydrogen bond.

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In the title compound, the cyclo­hexa­nol ring adopts a chair conformation and makes dihedral angles of 87.89 (7) and 75.53 (8)° with the mean planes of the tri­meth­oxy­phenyl rings and 84.18 (8), 85.07 (7) and 82.03 (8)° with the pyridine rings. In the crystal, the packing features C—H⋯O, O—H⋯O and O—H⋯N hydrogen bonds involving the water mol­ecules and meth­oxy O atoms.

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The mol­ecular and crystal structure of the title quinoxaline derivative is reported. The crystal structure is stabilized by weak C—H⋯O inter­molecular inter­actions.

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The tris­ubstituted 1,3-thia­zolidin-4-one ring in the title compound exhibits an envelope conformation with the S atom as the flap.

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In the title compound, the dihedral angle between the planes of the two aryl rings is 0.69 (15)°. An intra­molecular O—H⋯N hydrogen bond generates an S(6) ring. The crystal structure features C—H⋯O hydrogen bonds.

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In the crystal of 3-n-pentyl-5,5-di­phenyl­imidazolidine-2,4-dione, mol­ecules form an inversion dimer through a pair of N—H⋯O hydrogen bonds. These are linked into a three-dimensional network by C—H⋯O hydrogen bonds. The n-pentyl chain is disordered over two sites, with an occupancy ratio of 0.876 (2):0.124 (2).

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In the title mol­ecule, the three rings are within ca 6° of being coplanar; the conformation is influenced by intra­molecular hydrogen bonds.

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In the title mol­ecule, the bicyclic core is planar. In the crystal, the mol­ecules stack along a-axis direction through π-π-stacking inter­actions between the bicyclic units. The stacks are held together by N—H⋯N and C—H⋯O hydrogen bonds.

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The mol­ecular structure of 3-ethyl­indan-1-one consists of a nearly planar indanone core with the ethyl group protruding from this plane.

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In the crystal, C—H⋯N and C—H⋯O hydrogen bonds link mol­ecules into supra­molecular layers in the bc plane.

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In the title compound, an intra­molecular N—H⋯N hydrogen bond generates an S(6) ring. In the crystal, very weak C—H⋯O hydrogen bonds link the mol­ecules into C(8) [101] chains.
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