Search results for "Data Report"

showing 10 items of 41 documents

Crystal structure of N′′-benzyl-N′′-[3-(benzyldimethylazaniumyl)propyl]-N,N,N′,N′-tetramethylguanidinium bis(tetraphenylborate)

2015

In the crystal structure of the title salt, C24H38N42+·2C24H20B−, the C—N bond lengths in the central CN3unit of the guanidinium ion are 1.3364 (13), 1.3407 (13) and 1.3539 (13) Å, indicating partial double-bond character. The central C atom is bonded to the three N atoms in a nearly ideal trigonal–planar geometry and the positive charge is delocalized in the CN3plane. The bonds between the N atoms and the terminal methyl groups of the guanidinium moiety and the four C—N bonds to the central N atom of the (benzyldimethylazaniumyl)propyl group have single-bond character. In the crystal, C—H...π interactions between the guanidinium H atoms and the phenyl C atoms of the tetraphenylborate ions …

crystal structureTetraphenylboratebiologyChemistryGeneral ChemistryCrystal structureCondensed Matter Physicsbiology.organism_classificationC—H⋯π inter­actionstetraphenylborateData ReportsIonCrystalBond lengthlcsh:ChemistryDelocalized electronCrystallographychemistry.chemical_compoundguanidinium saltC—H...π interactionslcsh:QD1-999tetra­phenyl­borateMoietyTetraGeneral Materials ScienceActa Crystallographica Section E: Crystallographic Communications
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Crystal structure of a mixed-valence μ-oxide Sn12 cluster

2014

The mixed-valence μ-oxide Sn12cluster, decacarbonyltetra-μ4-oxido-hexa-μ3-oxido-tetrakis[μ-2,2′-(pyridine-2,6-diyl)bis(1,1-diphenylethanolato)]decatin(II)ditin(IV)dimolybdenum(O)(2Mo—Sn) toluene heptasolvate, [Mo2Sn12(C33H27NO2)4O10(CO)10]·7C7H8, has a crystallographically imposed inversion centre. The asymmetric unit also contains three and a half toluene solvent molecules, one of which is disordered about a centre of symmetry. The complex molecule comprises six distinct Sn atom species with four different coordination numbers, namely 3, 4, 5, and 6. The SnIIatoms forming the central Sn10O10core adopt distorted trigonal–pyramidal, square-pyramidal and octahedral coordination geometries pro…

crystal structureValence (chemistry)CrystallographyHydrogen bondLigandCoordination numberOxidecarbonylschemistry.chemical_elementGeneral ChemistryCrystal structureCondensed Matter PhysicsBioinformaticsS12 clusterData Reportschemistry.chemical_compoundCrystallographychemistrystannylenesQD901-999AtomGeneral Materials ScienceTinActa Crystallographica Section E
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Crystal structure ofN′-diphenylmethylidene-5-methyl-1H-pyrazole-3-carbohydrazide

2015

In the title compound, C18H16N4O, the planes of the phenyl rings are approximately perpendicular to each other [dihedral angle = 78.07 (8)°] and form dihedral angles of 56.43 (8) and 24.59 (8)° with the pyrazole ring. In the crystal, molecules are linked by N—H...O hydrogen bonds to form one-dimensional chains parallel to the [010] direction.

crystal structureagrochemical applicationsHydrogen bondbiological activityGeneral ChemistryCrystal structureDihedral anglePyrazoleCondensed Matter PhysicsHydrazideRing (chemistry)Data Reportslcsh:ChemistryCrystalchemistry.chemical_compoundCrystallographylcsh:QD1-999chemistryPerpendicularGeneral Materials Sciencepyrazole derivativespharmaceutical applicationsActa Crystallographica Section E Crystallographic Communications
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Crystal structure of allyl­ammonium hydrogen succinate at 100 K

2014

The asymmetric unit of the title compound, C2H8N+·C4H5O4−, consists of two allylammonium cations and two hydrogen succinate anions (Z′ = 2). One of the cations has a near-perfectsyn-periplanar (cis) conformation with an N—C—C—C torsion angle of 0.4 (3)°, while the other is characterized by agaucheconformation and a torsion angle of 102.5 (3)°. Regarding the anions, three out of four carboxilic groups are twisted with respect to the central C–CH2–CH2–C group [dihedral angles = 24.4 (2), 31.2 (2) and 40.4 (2)°], the remaining one being instead almost coplanar, with a dihedral angle of 4.0 (2)°. In the crystal, there are two very short, near linear O—H...O hydrogen bonds between anions, with t…

crystal structureallylammoniumHydrogenHydrogen bondchemistry.chemical_elementGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicssuccinateData Reportslcsh:ChemistryCrystalchemistry.chemical_compoundCrystallographylcsh:QD1-999chemistryallyl­ammoniumGroup (periodic table)hydrogen bondsGeneral Materials ScienceAmmoniumActa Crystallographica Section E: Structure Reports Online
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Crystal structure of chlorido(2-{[2-(4-chlorophenyl)hydrazin-1-ylidene-κN1](phenyl)methyl}pyridine-κN)(η5-pentamethylcyclopentadienyl)iridium(III) te…

2015

The title compound, [Ir(η5-C5Me5)Cl(C18H14ClN3)]B(C6H5)4, is chiral at the metal center and crystallizes as a racemate. In the cation, the hydrazinylidenepyridine ligand isN,N-coordinated through theN-pyridyl andN-hydrazinylidene groups forming a five-membered metallacycle. An intramolecular C—H...Cl hydrogen bond is observed. In the crystal, centrosymmetrically-related cations are connected by C—Cl...π interactions, forming a dimeric structure. The crystal packing is further stabilized by weak interionic C—H...π interactions.

crystal structurechemistry.chemical_elementNanotechnologyCrystal structureC—H⋯π inter­actionsintramolecular C—H...Cl hydrogen bondMedicinal chemistryhydrazinyl­idene­pyridine ligandpenta­methyl­cyclo­penta­dien­ylMetallcsh:Chemistrychemistry.chemical_compoundC—H...π interactionsPyridineGeneral Materials SciencepentamethylcyclopentadienylIridiumC—Cl...π interactionsbiologyLigandHydrogen bondintra­molecular C—H⋯Cl hydrogen bondiridium(III) complexGeneral ChemistryMetallacycleCondensed Matter Physicsbiology.organism_classificationData Reportshydrazinylidenepyridine ligandchemistrylcsh:QD1-999visual_artC—Cl⋯π inter­actionsvisual_art.visual_art_mediumTetraActa Crystallographica Section E: Crystallographic Communications
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Crystal structure of (E)-pent-2-enoic acid

2015

The molecule of the title compound, C5H8O2, a low-melting α,β-unsaturated carboxylic acid, is essentially planar [maximum displacement = 0.0239 (13) Å]. In the crystal, molecules are linked into centrosymmetric dimersviapairs of O—H...O hydrogen bonds.

crystal structurehydrogen bondunsaturated carb­oxy­lic acidHydrogen bondDimerGeneral ChemistryCrystal structureCondensed Matter Physicscomputer.software_genredimerData ReportsCrystallcsh:ChemistryCrystallographychemistry.chemical_compoundPlanarchemistrylcsh:QD1-999General Materials ScienceData miningMaximum displacementcomputerunsaturated carboxylic acidActa Crystallographica Section E: Crystallographic Communications
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Crystal structure of 4-(4-meth-oxy-phen-yl)-4',4'-dimethyl-3-p-tolyl-3',4'-di-hydro-1'H,3H-spiro-[isoxazole-5,2'-naphthalen]-1'-one.

2015

In the title compound, C28H27NO3, the cyclohexanone and isoxazole rings have envelope conformations, with the methylene and spiro C atoms as the flaps, respectively. The mean plane of the isoxazole ring is inclined slightly to thep-tolyl ring, making a dihedral angle of 14.20 (9)°, and is nearly perpendicular to the mean plane through the tetralone moiety and to the methoxyphenyl ring [dihedral angles = 83.41 (8) and 72.12 (9)°, respectively]. The crystal packing is stabilized mainly by van der Waals forces.

crystal structureisoxazoleGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsRing (chemistry)Data Reportstetra­loneCrystallcsh:ChemistryCrystallographychemistry.chemical_compoundsymbols.namesaketetralonechemistrylcsh:QD1-999TetralonesymbolsMoietyGeneral Materials ScienceIsoxazolevan der Waals forceActa crystallographica. Section E, Crystallographic communications
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Crystal structure of bis-(allyl-ammonium) oxalate.

2014

The title salt, 2C3H8N+·C2O42−, crystallized with six independent allylammonium cations and three independent oxalate dianions in the asymmetric unit. One of the oxalate dianions is nearly planar [dihedral angle between CO2planes = 1.91 (19)°], while the other two are twisted with angles of 11.3 (3) and 26.09 (13)°. One cation has a synperiplanar (cis) conformation with an N—C—C—C torsion angle of 0.9 (3)°, whereas the five remaining cations are characterized bygauchearrangements, with the N—C—C—C torsion angles ranging from 115.9 (12) to 128.8 (3)°. One of the allylammonium cations is positionally disordered (fixed occupancy ratio = 0.45:0.55). In the crystal, the cations and anions are co…

crystal structureoxalateallylammoniumHydrogen bondGeneral ChemistryCrystal structureAmmonium oxalateDihedral angleCondensed Matter PhysicsBioinformaticshydrogen bondingOxalateData ReportsDicationlcsh:Chemistrychemistry.chemical_compoundCrystallographydicationchemistrylcsh:QD1-999allyl­ammoniumGeneral Materials ScienceActa crystallographica. Section E, Structure reports online
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Crystal structure of hydrocortisone 17-butyrate

2014

In the title compound, C25H36O6, the two central cyclohexane rings exhibit a chair conformation. The terminal cyclohexene and cyclopentane rings are in half-chair and envelope conformations (with the C atom bearing the methyl substituent as the flap), respectively. The methyl group of the butyrate chain is disordered over two orientations, with a refined occupancy ratio of 0.742 (6):0.258 (6). Intramolecular O—H...O and C—H...O hydrogen bonds are observed. In the crystal, molecules are linked by O—H...O hydrogen bonds into chains running parallel to theaaxis.

inorganic chemicalscrystal structureCrystallographyHydrogen bondCyclohexane conformationeducationGeneral ChemistryButyrateCrystal structureCondensed Matter PhysicsBioinformaticsData ReportshumanitiesCrystalchemistry.chemical_compoundCrystallographychemistryQD901-999Atomhydrogen bondshydro­cortisone derivativehydrocortisone derivativeGeneral Materials Sciencepharmacological activityMethyl groupActa Crystallographica Section E
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A Crowd-Sourced Database of Coronamusic: Documenting Online Making and Sharing of Music During the COVID-19 Pandemic

2021

When a sweeping COVID-19 pandemic forced cultural venues, schools, and social hangouts into hibernation in early 2020, music life relocated to the digital world. On social media platforms like YouTube, Facebook, Twitter, and TikTok, sofas and balconies took center stage for musical performances presented as live-streamed concerts and recorded videos. Amateurs and professional musicians alike embraced digital formats and innovated novel genres of corona-themed music. We will refer to the products of this musical phenomenon collectively as "coronamusic." Adapting a well-known term from cultural musicology (Small, 1999), the diverse practices of listening, playing, dancing, composing, rehearsi…

musiikin esittäminen2019-20 coronavirus outbreaknettivideotCoronavirus disease 2019 (COVID-19)social mediaSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)sosiaalinen mediaemotionmusiikkipsykologiacorpusvideoCrowdsourcingWorld Wide WebtunteetPandemicData ReportPsychologymusicSocial mediaGeneral Psychologybusiness.industryYouTubeCOVID-19BF1-990joukkoistaminenmusiikin harrastaminenkorpuksetcrowdsourcingPsychologybusinessFrontiers in Psychology
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