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ISSN: 2414-3146

September 2022 issue

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Cover illustration: A detailed description is given of the raw diffraction data that were used for analysis and structure determination of the second extracellular domain of tetraspanin CD9 (CD9EC2). Remarkable features are reported in the diffraction pattern of CD9EC2, which crystallized in space group P1 and was twinned. Two types of diffuse streaks are observed. The stronger diffuse streaks are related to the twinning and occur in the direction perpendicular to the twinning interface. It is concluded that the twin domains scatter coherently as both Bragg reflections and diffuse streaks are seen. The weaker streaks along c* are unrelated to the twinning but are caused by intermittent layers of non-crystallographic symmetry related molecules. It is envisaged that the raw diffraction images could be very useful for methods developers trying to remove the diffuse scattering to extract accurate Bragg intensities or using it to model the effect of packing disorder on the molecular structure. See: Neviani, Lutz, Oosterheert, Gros & Kroon-Batenburg [IUCrData (2022). 7, x220852].

editorial


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A new category of articles – Raw Data Letters – is introduced to IUCrData.

raw data letters


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Remarkable features are reported in the diffraction pattern produced by a crystal of tetraspanin CD9EC2.

metal-organic compounds


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The oxido-bridged dinuclear complex, [Mn(TPP)]2O, has an Mn—O distance of 1.7600 (3) Å, an Mn—O—Mn bridging angle of 176.1 (2)°, and exhibits point group symmetry 2.

organic compounds


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A combination of hydrogen-bonding and anion-π inter­actions help form the extended structure of the title salt.

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The crystal structure of the title ethidium salt has been determined. The ethidium cations construct a dimerized structure due to π–π inter­actions.

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The title compound is an di­iodo Schiff base mol­ecule under investigation for possible anti­microbial activity as well as for a ligand for medicinal activity.

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The crystal structure of a flavanone is reported in which C—H⋯O hydrogen bonds link the mol­ecules into chains.

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The title compound crystallizes with two mol­ecules in the asymmetric unit, which form double chains in the crystal linked by N—H⋯O and N—H⋯N hydrogen bonds.

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In the title compound, the phenyl and pyrazole rings subtend a dihedral angle of 22.68 (8)°.

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The crystal structure of the title compound features a three-dimensional framework resulting from hydrogen bonds formed by the hy­droxy and urethane groups.

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The crystal structure of a chalcone is reported. The relative conformation of the C=C and C=O double bonds in the central enone group is s-cisoid; there is a trans configuration about the C=C bond. In the crystal, C—H⋯O inter­actions link mol­ecules into linear chains along the a-axis direction.

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In the title pheno­thia­zine derivative, the heterocycle displays a butterfly conformation.
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