Search results for "Hydrogen"
showing 10 items of 4254 documents
N-(Pyrazin-2-yl)adamantane-1-carboxamide
2016
Molecules of the title compound, C15H19N3O, are composed of an adamantine unit and a pyrazine ring connected to each other through an amide bond. The H—N—C=O moiety is close to planar [C—N—C—O and C—N—C—C torsion angles of 4.7 (2) and −173.8 (1)°, respectively]. The N3—C5 bond has partial double-bond character [1.370 (1) Å]. The geometries of the pyrazine ring and the adamantane substituent are normal and in good agreement with closely related structures. In the crystal, molecules are connected by N—H...O hydrogen bonds, forming zigzag chains in the [001] direction and are arranged in a herringbone fashion.
The methanol sesquisolvate of sodium naproxen
2018
A new solvatomorph of sodium naproxen with methanol as solvent is reported. The asymmetric unit comprises two formula units of sodium naproxen and three methanol molecules.
Crystal structure and Hirshfeld surface analysis of 4-allyl-2-methoxy-6-nitrophenol
2020
The crystal structure of 4-allyl-2-methoxy-6-nitrophenol, which crystallizes in the centrosymmetric space group P with three independent molecules in the asymmetric unit, is reported along with the Hirshfeld surface analysis.
Crystal structure and Hirshfeld surface analysis of (E)-3-[(4-fluorobenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide
2019
TARAMAPUBMED TARAMASCOPUS TARAMAWOS In the cation of the title salt, C16H15FN3S+·Br−, the phenyl ring is disordered over two sets of sites with a refined occupancy ratio of 0.503 (4):0.497 (4). The mean plane of the thiazolidine ring makes dihedral angles of 13.51 (14), 48.6 (3) and 76.5 (3)° with the fluorophenyl ring and the major- and minor-disorder components of the phenyl ring, respectively. The central thiazolidine ring adopts an envelope conformation. In the crystal, centrosymmetrically related cations and anions are linked into dimeric units via N—H...Br hydrogen bonds, which are further connected by weak C—H...Br hydrogen bonds into chains parallel to [110]. Hirshfeld surface an…
Stabilisation of Exotic Tribromide (Br3−) Anions via Supramolecular Interaction with A Tosylated Macrocyclic Pyridinophane. A Serendipitous Case.
2020
Tetraaza-macrocyclic pyridinophane L-Ts, decorated with a p-toluenesulfonyl (tosyl
Crystal structure of bis(2-methyl-1H-imidazol-3-ium) dihydroxidobis(oxalato-κ2 O 1,O 2)stannate(IV) monohydrate
2016
The SnIV atom in the anion of the title compound is six-coordinated by two OH groups and four O atoms from two chelating oxalate ligands. Several N—H⋯O and O—H⋯O hydrogen bonds involving the stannate dianions, the cations and the water molecules result into a three-dimensional network structure.
Geometrical and conformational preferences of the 9‐fluorenylmethoxycarbonyl‐amino moiety
2004
Structural parameters, originating from x-ray crystallographic data, have been compiled for 13 derivatives of amino acids, peptides and related compounds, which contain a total of 14 Fmoc-NH- moieties. For these moieties, molecular geometries and conformations--described by the omegao, theta1, theta2 and theta3' torsion angles--were analysed and compared with the corresponding parameters for the Z-NH- and Boc-NH-moieties (290 and 553, respectively). To gain a deeper insight into the conformational features of the Fmoc-NH- moiety, ab initio free molecule calculations were performed for fully relaxed minima. Also the potential energy surface as a function of the torsion angles (theta3', theta…
4,4′-(1,2-Diazaniumylethane-1,2-diyl)dibenzoate trihydrate
2016
The title compound, C16H16N2O4·3H2O, was synthesized from (1R,2R)-1,2-bis(2-hydroxyphenyl)ethylenediamine and terephthalaldehydic acid. The compound crystallizes from water as a double zwitterion with protonated amine groups and deprotonated carboxylate groups. The dihedral angle formed by the aromatic rings is 3.86 (11)°. In the crystal, N—H...O and O—H...O hydrogen bonds link molecules into a three-dimensional network.
1-[(1R,2S,4R,7S)-3,3-Dichloro-4,11,11-trimethyltricyclo[5.4.0.02,4]undecan-7-yl]ethanone
2017
The title compound, C16H24Cl2O, crystallizes with two independent molecules in the asymmetric unit. Each molecule is built up from two fused six-membered rings, one of which is fused to a three-membered ring. The two molecules differ essentially in the orientation of two of the methyl groups. The dihedral angles between the mean planes through the two six-membered rings are 57.98 (13) and 55.29 (13)°. The molecular conformation is stabilized by intramolecular C—H...Cl hydrogen bonds.
Crystal structure of bis-(2-methyl-1H-imidazole-κN (3))(meso-tetra-p-tol-ylporphyrinato-κ(4) N)iron(III) perchlorate tetra-hydro-furan sesquisolvate.
2016
The crystal structure of the six-coordinate, highly ruffled, ferric porphyrinate bis(2-methylimidazole)[meso-tetrakis(p-tolyl)porphyrinato]iron(III) perchlorate is reported.