Results 1 to 10 of about 49,756 (55)
Diaquabis(4-ferrocenyl-1,1,1-trifluoro-4-oxobutan-2-olato)cobalt(II)
IUCrData, 2020 In the title compound, [CoFe2(C5H5)2(C9H5F3O2)2(H2O)2], the central Co atom has an octahedral coordination geometry defined by two chelating trifluoromethyl-β-diketone ferrocene ligands and two aqua ligands, with the latter in a cis disposition.
Shujing Wang, Heguo Han, Yuyang Han
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IUCrData, 2018 In the title solvated complex salt, [Cu(C27H39BN6S3)(C2H5NO)](CF3O3S)·2CHCl3, the CuI atom is coordinated by the three S atoms of the pyridazine-3-thione rings in the equatorial plane [Cu—S = 2.3072 (4)–2.3280 (4) Å] and the B atom of the scorpionate ...
Stefan Holler +2 more
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1-(Cycloheptylidene)thiosemicarbazide
IUCrData, 2019 The asymmetric unit of the title compound, C8H15N3S, contains two independent molecules. In both molecules, the seven-membered cycloheptane ring adopts a chair conformation. An intramolecular N—H...N hydrogen bond is observed in both molecules, forming S(
Mulveer Singh +4 more
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Transient process spectroscopy for the direct observation of inter-molecular photo-dissociation
Structural Dynamics, 2017 Transient process spectroscopy has previously been thought to be applicable only to the analysis of intra-molecular processes. Two metal ion bridges used in the present work have allowed us to visualize real-time variations of the molecular vibration ...
Sena Hashimoto +2 more
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N-[(1R,2S)-1-(4-Bromophenyl)-2-fluoro-3-(2-methylphenyl)-3-oxopropyl]-4-nitrobenzamide
IUCrData, 2018 The title compound, C23H18BrFN2O4, contains two chiral carbon centres and the absolute configuration has been confirmed as (1R,2S). The dihedral angles between the three phenyl rings are 12.4 (4), 34.2 (4) and 44.5 (4)°.
Yu-hang Luo +5 more
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2-[4,5-Diphenyl-2-(pyridin-4-yl)-1H-imidazol-1-yl]ethanol
IUCrData, 2017 The basic building blocks of the three-dimensional structure of the title compound, C22H19N3O, are helical chains running along the [101] direction and formed by O—H...N hydrogen bonds. C—H...O hydrogen bonds between chains generate sheets which are then
Joel T. Mague +4 more
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Time zero determination for FEL pump-probe studies based on ultrafast melting of bismuth
Structural Dynamics, 2017 A common challenge for pump-probe studies of structural dynamics at X-ray free-electron lasers (XFELs) is the determination of time zero (T0)—the time an optical pulse (e.g., an optical laser) arrives coincidently with the probe pulse (e.g., a XFEL pulse)
S. W. Epp +20 more
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Diethyl 2,6-dimethyl-4-(naphthalen-1-yl)-1,4-dihydropyridine-3,5-dicarboxylate
IUCrData, 2016 In the title compound, C23H25NO4, the 1,4-dihydropyridine ring adopts a flattened boat conformation. The naphthalene ring system forms a dihedral angle of 88.59 (6)° with the pyridine ring.
N. L. Prasad, Noor Shahina Begum
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(E)-N-{3-[(m-Tolylimino)methyl]pyridin-2-yl}pivalamide
IUCrData, 2017 In the title compound, C18H21N3O, the dihedral angle between the pyridine and benzene rings is 30.53 (7)° and the C—C=N—C torsion angle is −170.6 (2)°. An intramolecular N—H...N hydrogen bond generates an S(6) ring.
Şehriman Atalay +2 more
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A monoclinic polymorph of 2-(4-nitrophenyl)acetic acid
IUCrData, 2016 A new monoclinic form of 4-nitrophenylacetic acid, C8H7NO4, (I), differs from the known orthorhombic form both in its molecular conformation and in its intermolecular contacts. The conformation is different as the plane of the carboxylic acid group in (I)
Alan R. Kennedy, Lygia Silva de Moraes
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