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]

Undergraduate Student Attitudes Toward MIS: Instrument Development and Changing Perceptions of the Field Across Gender and Time

The MIS field suffers from two pressing workforce issues, underrepresentation of women and inadequate supply of entry level talent. To examine these issues, this study develops an instrument to measure attitudes toward MIS (Attitude toward success, usefulness, confidence in learning, and effectance motivation) and perceptions of both MIS and MIS professionals. Data from 1102 college students collected over a five-year period were then used to test gender differences within and across time periods. In spite of recent efforts, little progress has been made to improve attitudes and perceptions. However, in contrast to expectations, views appear not so different across gender

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

Missouri’s Taxation of Remote Sellers in a Post-Wayfair World

In this paper the authors consider the impact of the Wayfair decision on the state of Missouri. The authors – two members of the Missouri Department of Revenue – consider especially the unique implications Wayfair has to a state such as Missouri that is not a member of the SSUTA. It further surveys responses being developed by the state legislature

Bi-cropping of winter wheat and white clover.

End of Project ReportGrowing cereals in a leguminous living mulch (bi-cropping) could potentially reduce the need for synthetic inputs to cereal production while preventing losses of nutrients and increasing soil biological activity. The objective of this project was to investigate how bi-cropping (a low input production system for cereals) would compare with conventional winter wheat production systems in terms of total biomass, grain yield and biological diversity. This study has resulted in valuable information on bi-cropping being generated as well as identifying the potential benefits that can be expected under Irish conditions. While the results indicate that winter wheat can be successfully established in an understorey of white clover if sown early in good conditions, competition from grass weed species represents a serious impediment to successful bi-cropping in the longer term. Consequently further research is needed before such a system can be presented to the agricultural community.European Union Framework Programm