Intermolecular hydrogen bonding of the two independent molecules of N-3,5-dinitrobenzoyl-L-leucine

The title compound, C₁₃H₁₅N₃O₇, crystallizes as two independent molecules which differ in their conformation. Intermolecular hydrogen bonding between the amide and carboxylic acid groups as N-H...O=C interactions results in the formation of one-dimensional chains with N...O distances of 2.967 (6) and 3.019 (6) Å. Neighbouring chains are linked by C=O...H-O interactions to form a two-dimensional network, with O...O distances of 2.675 (6) and 2.778 (6) Å

Methyl 2-[(ferrocenylcarbonyl)amino]thiophene-3-carboxylate

The title compound, [Fe(C₅H₅)(C₁₂H₁₀NO₃S)], was synthesized from ferrocenecarboxylic acid and methyl 2-aminothiophene-3-carboxylate in modest yield. The substituted ring system is essentially planar through the amidothienylcarboxylate moiety, η⁵-(C₅H₄)CONH(C₄H₂S)CO₂Me, with the amido unit at an angle of 3.60 (7)° to the five-atom thienyl group, which is oriented at an angle of 3.17 (7)° to the ester moiety. The primary hydrogen bond is an intramolecular N-H...O=Ccarboxylate interaction [N...O 2.727 (2) Å], and the main intermolecular hydrogen bond involves a thienyl carboxylate and the carboxylate of a symmetry-related molecule [C...O 3.443 (3) Å]

Intermolecular interactions in N-(ferrocenylmethyl)anthracene-9-carboxamide

The title compound, [Fe(C₅H₅)(C₂₁H₁₆NO)], was synthesized from the coupling reaction of anthracene-9-carboxylic acid and ferrocenylmethylamine. The ferrocenyl (Fc) group and the anthracene ring system both lie approximately orthogonal to the amide moiety. An amide-amide interaction (along the a axis) is the principal interaction [N...O = 2.910 (2) Å]. A C-H...π(arene) interaction [C...centroid = 3.573 (2) Å] and a C-H...O interaction [C...O = 3.275 (3) Å] complete the hydrogen bonding; two short (Fc)C...C(anthracene) contacts are also present

Redetermination of para-aminopyridine (fampridine, EL-970) at 150 K

The structure of fampridine (EL-970) or 4-aminopyridine, C₅H₆N₂, has been redetermined at 150 K. The room-temperature structure has been reported previously [Chao & Schempp (1977). Acta Cryst. B33, 1557-1564]. Pyramidalization at the amine N atom occurs in fampridine, with the N atom 0.133 (11) Å from the plane of the three C/H/H atoms to which it is bonded; the interplanar angle between the pyridyl ring and NH2 group is 21 (2)°. Aggregation in the solid state occurs by N-H...N and N-H...[pi](pyridine) interactions with N...N and N...[pi](centroid) distances of 2.9829 (18) and 3.3954 (15) Å, respectively; a C-H...[pi](pyridine) contact completes the intermolecular interactions [C...[pi](centroid) = 3.6360 (16) Å]

Methyl 2-(4-ferrocenylbenzamido)thiophene-3-carboxylate and ethyl 2-(4-ferrocenylbenzamido)-1,3-thiazole-4-acetate, a unique ferrocen

The conformations and hydrogen bonding in the thiophene and thiazole title compounds, [Fe(C₅H₅)(C₂₀H₁₄NO₃S)], (I), and [Fe(C₅H₅)(C₁₉H₁₇N₂O₃S)], (II), are discussed. The sequence (C₅H₄)-(C₆H₄)-(CONH)-(C₄H₂S)-(CO₂Me) of rings and moieties in (I) is close to being planar; all consecutive interplanar angles are less than 10°. An intramolecular N-H...O=Cester hydrogen bond [graph set S(6), N...O = 2.768 (2) Å and N-H...O = 134 (2)°] effects the molecular planarity, and aggregation occurs via hydrogen-bonded chains formed from intermolecular Car-H...O=Cester/amide interactions along [010], with C...O distances ranging from 3.401 (3) to 3.577 (2) Å. The thiazole system in (II) crystallizes with two molecules in the asymmetric unit; these differ in the conformation along their long molecular axes; for example, the interplanar angle between the phenylene (C₆H₄) and thiazole (C₃NS) rings is 8.1 (2)° in one molecule and 27.66 (14)° in the other. Intermolecular N-H...O=Cester hydrogen bonds [N...O = 2.972 (4) and 2.971 (3) Å], each augmented by a Cphenylene-H...O=Cester interaction [3.184 (5) and 3.395 (4) Å], form motifs with graph set R¹₂(7) and generate chains along [100]. The amide C=O groups do not participate in hydrogen bonding. Compound (II) is the first reported ferrocenyl-containing thiazole structure

Synthesis and characterisation of novel ferrocenyl thienyl and thiazolyl systems

Ferrocenyl derivatives are currently under investigation by our group and several series containing both amidothienyl and amidothiazolyl systems have been synthesised and characterised. The incorporation of thienyl/thiazolyl groups into a ferrocenyl- or ferrocenylphenyl system greatly enhances the number of potential donor atoms for coordination with metal fragments e.g. PtII, PdII with a view to platinum anti-cancer studies and/or interaction with guest molecules through suitable hydrogen bonding interactions. In nature, thiazole has been found to be vital in certain natural products: examples include the antibiotic bacitracin and the siderophore yersiniabactin. In therapeutic studies the antitumour compound epothilone A and myxothiazole (inhibitor) have been extensively studied

Ethyl and isopropyl 4-ferrocenylbenzoate.

The title compounds, [Fe(C5H5)(C14H13O2)] and [Fe(C5H5)- (C15H15O2)], respectively, contain the ferrocenyl 5(C5H4) and phenylene ±C6H4± rings in a nearly coplanar arrangement, with interplanar angles of 6.88 (12) and 10.5 (2), respectively. Molecules of the ethyl ester form dimers through 5(C5H5)CÐ H O C hydrogen bonds, with graph set R22 (20), and, together with Csp3ÐH (C5H5) interactions, generate a one-dimensional column (irregular ladder). Molecules of the isopropyl ester aggregate through 5(C5H5)CÐH (C6H4) interactions

O-H...O, C-H...O and C-H...πarene Intermolecular Interactions in (2R/2S)-2-(1-oxo-1,3-dihydroisoindol-2-yl)-3-phenylpropanoic Acid

The title compound, C₁₇H₁₅NO₃, forms a hydrogenbonded network in the solid state consisting of O-H...O=C, Carene--H...and 0=C and Carene--H...πarene intermolecular interactions, with shortest O...O, C...O and C...C distances of 2.625(2), 3.281(3) and 3.652 (3)Å, respectively. The interplanar angle between the five- and six-membered rings of the isoindole system is 1.07 (14) °, with the carbonyl O atom 0.I10 (3)Å from the C₄N ring plane

Intramolecular C-H...O and intermolecular N-H...O and C-H...O interactions in N-ferrocenoylglycine benzyl ester, an effective dihydrogen phosphate anion sensing agent

The title compound, benzyl N-(ferrocenecarbonyl)glycinate, [Fe(C₅H₅)(C₁₅H₁₄NO₃)], a glycine benzyl ester derivative, is an effective anion sensor for electrochemically sensing the dihydrogen phosphate anion (H₂PO₄-). Intermolecular N--H...O hydrogen bonds form onedimensional chains with graph set C(4) [N...O 2.811 (3)Å,]. A two-dimensional network is formed by linking the chains through Car--H...0=Cester interactions about inversion centres [graph set R²₂(14); C...O 3.406 (4)Å]. An intramolecular Ccp-H...0=Cester interaction [C...O 3.540 (3)Å,] with graph set S(9) completes the hydrogen bonding

Intermolecular N-H...N and C-H...O interactions from one-dimensional chains comprising the two independent molecules of N,N'-dicyclohexyl-N-nicotinoylurea

The title_compound, C₁₉H₂₇N₃0₂, crystallizes in space group P1 with two molecules in the asymmetric unit which differ slightly in conformation. Intermolecular N--H...N and C--H...O interactions generate a hydrogen-bonded ring system between the alternating molecules, graph set R²₂(16), with N...N distances of 3.021 (3) and 3.041 (3)Å, and C...O distances of 3.219(3) and 3.296(3)Å along the hydrogen-bonded chains