“…The oxirane O atom and the bridging ester O atom are in an approximate syn conformation [O—C—C—O = −25.4 (3)°] In the crystal, inversion dimers linked by pair of C—H⋯O hydrogen bonds generate R (2) (2)(8) loops, where the C—H donor group forms part of the oxirane ring. …”
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“…In the title compound, C(13)H(9)N(3)O(5), the mean plane of the non-H atoms of the central amide fragment C—N—C(=O)—C [r.m.s. deviation = 0.0442 Å] forms dihedral angles of 71.76 (6) and 24.29 (10)° with the C-bonded and N-bonded benzene rings, respectively. …”
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“…They have slightly different conformations: the fused ring systems almost overlap, but different C—O—C—C torsion angles for the central chains of −155.5 (2) and −178.6 (2)° lead to different twists for the terminal benzene ring. …”
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“…In the title compound, C(20)H(17)ClN(2)O(2)S, the dihedral angle between the planes of the benzo­thia­zole fused ring system (r.m.s. deviation = 0.024 Å) and the chloro­benzene ring is 89.62 (12)°. The ester C—O—C—C side chain has an anti orientation [torsion angle = −155.2 (3)°]. …”
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“…The conformation of the O—C—C—O linkage is gauche [torsion angle = −75.0 (2)°]. …”
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“…In the crystal, mol­ecules are linked by N–H⋯N(nitrile) and N–H⋯O=C hydrogen bonds, forming chains parallel to the b axis.…”
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“…In the anion, the oxoacetate side chain assumes an antiperiplanar conformation with the defining C—O—C—C torsion angle = −171.33 (15)°.…”
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“…The atoms of the central O(C=S)N(C=O)O fragment have an r.m.s. deviation of 0.1077 Å from the respective least-squares plane. …”
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“…While the meth­oxy group is coplanar with the fused ring system [C—C—O—C torsion angle = 3.1 (3)°], the acetic acid residue occupies a position almost prime [C—C—C—C = 77.0 (2)°]. …”
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“…The two aryl rings are oriented gauche to one another around the sulfonate S—O bond, with a C—S—O—C torsion angle of −70.68 (16)°, and the two rings are inclined to one another by 72.40 (7)°. …”
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“…The title salt, C(4)H(6)N(3)O(+)·C(4)H(3)O(4) (−)·C(4)H(5)N(3)O, has been redetermined from the data published by Benali-Cherif, Falek & Direm [Acta Cryst. (2009), E65, o3058–o3059]. …”
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“…The allyl substituent (C—C=C) is inclined to this mean plane by 78.5 (7)° and the acetate group [C(=O)—O—C] by 66.5 (3)°. In the crystal, mol­ecules are linked by C—H⋯π inter­actions forming chains propagating along the a-axis direction.…”
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“…The dihedral angle between the benzene rings is 13.3 (4)° and the C—N—C(=O)—C torsion angle is 176.1 (6)°. In the crystal, amide-C(4) N—H⋯O and reinforcing C—H⋯O hydrogen bonds link the mol­ecules into infinite [010] chains. …”
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“…Using the particle swarm optimization technique, we proposed a cubic superhard phase of C(3)N (c-C(3)N) with an estimated Vicker’s hardness of 65 GPa, which is more energetically favorable than the recently proposed o-C(3)N. The c-C(3)N is the most stable phase in a pressure range of 6.5–15.4 GPa. …”
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“…The main methodology includes enantioselective 1,2- or 1,4-additions across C[double bond, length as m-dash]O, C[double bond, length as m-dash]N and C[double bond, length as m-dash]C bonds by arylmetallic reagents; aryl cross-couplings of olefins, benzylic (pseudo)halides and aziridines; asymmetric aryl substitution reactions of allylic substrates; and isotopic benzylic C–H arylation.…”
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“…The one-pot acid-catalysed conversion of mono/di/polysaccharides (inulin, xylan, cellobiose, sucrose, glucose, fructose, xylose) into 2-furfuraldehyde (FUR) or 5-hydroxymethylfurfural (HMF) in the presence of aluminium-containing mesoporous TUD-1 (denoted as Al-TUD-1, Si/Al = 21), at 170 ºC was investigated. Xylose gave 60% FUR yield after 6 h reaction; hexose-based mono/disaccharides gave less than 20% HMF yield; polysaccharides gave less than 20 wt % FUR or HMF yields after 6 h. …”
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“…The phenomenon of formation of two isomers, yellow and orange, of the cyclometalated Ru(II) complex, [Ru(o-C(6)H(4)-py)(MeCN)(4)](+), was investigated by EELS spectroscopy and theoretical calculations. …”
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“…For instance, CB and graphite samples with high specific surface areas (151 and 308 m(2)/g), as oxidized by the Hummers’ method, exhibit O/C wt/wt ratios of 0.91 and 0.62, respectively. …”
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“…In the crystal, numerous N—H⋯Cl, N—H⋯O, C—H⋯O and C—H⋯Cl hydrogen bonds link the mol­ecules into a three-dimensional network. …”
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“…XPS analysis revealed that plasma exposure time had a considerable effect on the surface N/C and O/C ratio as well as on amino grafting efficiency and amino selectivity. …”
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