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Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890

April 2024 issue

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Cover illustration: The present report presents the structures of ten trialkylphosphane chalcogenide complexes of gold(III) trihalides, with general formula (tBu3–niPrnP=E)AuX3, where X is Cl or Br, and the chalcogenide E is restricted to S or Se. The paper is a continuation of an extensive study on phosphane chalcogenides of the type R3P=E, where the R groups are alkyl or aryl (and may also be mixed) [Acta Cryst. (2024). E80, 34–49]. All compounds crystallize with one formula unit in the asymmetric unit and square-planar coordination geometries at the gold(III) centres, while the chalcogenide atoms show approximately tetrahedral angles. The molecular packing is analysed in terms of various short contacts such as weak C—H⋯X hydrogen bonds and contacts between the heavier atoms. See: Upmann, Bockfeld, Jones & Târcoveanu [Acta Cryst. E80, 355–369].

research communications


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The crystal structure of the first reported glyoxal–tetra­aza­macrocycle condensate amine oxide is presented. The sterically hindered oxidized amine binds zinc(II) through the oxygen atom in its folded cleft, with an inter­nal hydrogen bond across the cleft between the oxygen and a protonated tertiary nitro­gen.

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The title compound, C14H12N2O4, obtained from 2-acetyl-6-aminona­phthalene through two-step reactions of acetyl­ation and nitration, is a Prodane fluorescent dye. In the crystal, the mol­ecules are assembled into two-dimensional sheet-like structures by inter­molecular N—H⋯O hydrogen bonding and π–π stacking inter­actions. Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from O⋯H/H⋯O (43.7%), H⋯H (31.0%), and C⋯H/H⋯C (8.5%) contacts.

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The CoII-catalysed synthesis and crystal structure is reported for the title compound, which features a symmetric N⋯H+⋯N unit.


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The crystal structure of the anionic lutetium(III) tetra­kis-CAPh complex (CAPh = carbacyl­amido­phosphate) with tetra­phenyl phosphate as the cation, PPh4[LuL4], is presented and discussed.

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The structure of (S)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-2-oxazolidinone has been determined to establish its absolute configuration in efforts to synthesize an anti­cancer drug candidate, parsaclisib.

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In the crystal, mol­ecules are linked by N—H⋯N and C–H⋯N hydrogen bonds, forming a three-dimensional network. In addition, C—H⋯π inter­actions form layers parallel to the (100) plane. Thus, crystal-structure cohesion is ensured.

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In the title compound, the quinoxaline moiety shows deviations of 0.0288 (7) to −0.0370 (7) Å from the mean plane (r.m.s. deviation of fitted atoms = 0.0223 Å). In the crystal, corrugated layers two mol­ecules thick are formed by C—H⋯N hydrogen bonds and π-stacking inter­actions.

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In the title compound, the pyridine ring is fused to acrylic acid, forming an almost planar structure with an E-configuration about the double bond. In the crystal, O—H⋯N and C—H⋯O inter­actions together with π–π stacking inter­actions lead to the formation of the three-dimensional structure.

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In the crystal of the title compound, N—H⋯O hydrogen bonds form chains of mol­ecules along the [100] direction. The chains are linked by C—H⋯π inter­actions, forming a three-dimensional network.

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The heterocyclic system of the title compound is approximately planar except for the carbon atom of the CMe2 group; the residues are connected by extensive classical hydrogen bonding.

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The Li cation in the crystal structure of the lithium salt LiC9H7O4·H2O shows a coordination number of four whereas the Na cation in the crystal structure of the sodium salt NaC9H7O4·H2O shows a coordination number of seven.

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The mol­ecular and crystal structure of the bromido­tetra­kis­[5-(prop-2-en-1-ylsulfan­yl)-1,3,4-thia­diazol-2-amine-κN3]copper(II) bromide complex was studied and Hirshfeld surfaces and fingerprint plots were generated to investigate the various inter­molecular inter­actions.

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The crystal structure is essentially stabilized by O—H⋯O bonds. Here, the carboxyl groups of neighbouring host mol­ecules are connected by cyclic [R_{2}^{2}](8) synthons, leading to the formation of a three-dimensional network. The water mol­ecules in turn form helical supra­molecular strands running in the c-axis direction (chain-like water clusters). The second H atom of each water mol­ecule provides a link to a meth­oxy O atom of the host mol­ecule.

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In the crystal, mol­ecules are connected by C—H⋯O and O—H⋯O hydrogen bonds, forming a three-dimensional network. In addition, C—H⋯π inter­actions also strengthen the mol­ecular packing.

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In the title mol­ecule, the imidazolidine ring slightly deviates from planarity and the morpholine ring exhibits the usual chair conformation. In the crystal, N—H⋯O and C—H⋯O hydrogen bonds form helical chains of mol­ecules extending parallel to the c axis that are connected by C—H⋯π(ring) inter­actions into a tri-periodic network.

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The quinoxaline moiety is almost planar and the dihedral angle between the mean planes through the two constituent six-membered rings is 2.1 (2)°. In the crystal, C—H⋯O hydrogen bonds together with slipped π-stacking and C—H⋯π(ring) inter­actions generate chains of mol­ecules extending along the b-axis direction. The chains are connected by additional C—H⋯O hydrogen bonds.

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In the crystal structure of the title compound the two phenyl rings are coplanar, whereas the nitro and the two methyl ester groups are rotated out of the ring plane. The mol­ecules are linked by inter­molecular C—H⋯O hydrogen bonding into a tri-periodic network.

Research communications

Research communications are designed to help authors bring out the science behind their structure determinations. Authors are encouraged to report more than one structure in the same communication and also to include the results of investigations with other techniques. The Research communications format makes Acta E the natural home for structure determinations with interesting science to report.

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Acta E is included in the Emerging Sources Citation Index.

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