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James L Wardell

Publications and source records attributed to James L Wardell.

At least 19 recordsLinked to original sources
PubMed2006

2,3-Dimethoxybenzaldehyde isonicotinoylhydrazone chloroform monosolvate, and the mono- and dihydrates of 3,4,5-trimethoxybenzaldehyde isonicotinoylhydrazone: hydrogen-bonded supramolecular structures in one, two and three dimensions.

In 2,3-dimethoxybenzaldehyde isonicotinoylhydrazone chloroform monosolvate, C15H15N3O3.CHCl3, the hydrazone molecules are linked by a combination of N-H...N and C-H...N hydrogen bonds into chains from which the chloroform molecules are pendent. 3,4,5-Trimethoxybenzaldehyde isonicotinoylhydrazone forms two stoichiometric hydrates. In the monohydrate, C16H17N3O4.H2O, the components are linked into sheets by a combination of O-H...O, O-H...N and N-H...N hydrogen bonds, and in the dihydrate, C16H17N3O4.2H2O, a combination of O-H...O, O-H...N and N-H...O hydrogen bonds links the components into a three-dimensional framework structure.

Journal Article↗
PubMed2006

Four substituted benzohydrazides: hydrogen-bonded structures in one, two and three dimensions.

The molecules of 2,6-dichlorobenzohydrazide, C7H6Cl2N2O, are linked into simple chains by a single N-H...O hydrogen bond, while in the isomeric compound 2,4-dichlorobenzohydrazide, the molecules are linked by N-H...N and N-H...O hydrogen bonds into complex sheets comprising an inner polar layer sandwiched between two non-polar layers. In 4-amino-2-chlorobenzohydrazide monohydrate, C7H8ClN3O.H2O, the components are linked into a three-dimensional framework by a combination of O-H...O, O-H...N, N-H...N and N-H...O hydrogen bonds, and in 2-nitrobenzohydrazide, C7H7N3O3, a three-dimensional framework is formed by a combination of N-H...N and N-H...O hydrogen bonds.

Journal Article↗
PubMed2006

Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures.

The isomeric N-(iodophenyl)nitrobenzamides, C(13)H(9)IN(2)O(3), all form different three-dimensional framework structures. Molecules of N-(2-iodophenyl)-3-nitrobenzamide (II) are linked by a combination of N-H...O and C-H...O hydrogen bonds and a two-centre iodo...carbonyl interaction. The supramolecular structure of N-(2-iodophenyl)-4-nitrobenzamide (III) is built from one N-H...O and two C-H...O hydrogen bonds, but short I...O contacts are absent from the structure. In N-(3-iodophenyl)-2-nitrobenzamide (IV), which crystallizes with Z' = 2 in space group P2(1), the structure contains two N-H...O hydrogen bonds, four C-H...O hydrogen bonds, two two-centre iodo...nitro interactions and an aromatic pi...pi stacking interaction. The structure of N-(3-iodophenyl)-3-nitrobenzamide (V) contains one N-H...O hydrogen bond and three C-H...O hydrogen bonds, together with a two-centre iodo...nitro interaction and an aromatic pi...pi stacking interaction, while in N-(3-iodophenyl)-4-nitrobenzamide (VI), the combination of one N-H...O hydrogen bond and two C-H...O hydrogen bonds is augmented not only by a two-centre iodo...nitro interaction and an aromatic pi...pi stacking interaction, but also by a dipolar carbonyl...carbonyl interaction. In the supramolecular structure of N-(4-iodophenyl)-4-nitrobenzamide (IX), which crystallizes with Z' = 2 in space group P\overline 1, there are two N-H...O hydrogen bonds, four C-H...O hydrogen bonds and two three-centre iodo...nitro interactions.

Journal Article↗
PubMed2006

Isomers and polymorphs of (E,E)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadienes.

The structures of five of the possible six isomers of (E,E)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadiene are reported, including two polymorphs of one of the isomers. (E,E)-1,4-Bis(2-nitrophenyl)-2,3-diaza-1,3-butadiene, C(14)H(10)N(4)O(4) (I), crystallizes in two polymorphic forms (Ia) and (Ib) in which the molecules lie across centres of inversion in space groups P2(1)/n and P2(1)/c, respectively: the molecules in (Ia) and (Ib) are linked into chains by aromatic pi...pi stacking interactions and C-H...pi(arene) hydrogen bonds, respectively. Molecules of (E,E)-1-(2-nitrophenyl)-4-(3-nitrophenyl)-2,3-diaza-1,3-butadiene (II) are linked into sheets by two independent C-H...O hydrogen bonds. The molecules of (E,E)-1,4-bis(3-nitrophenyl)-2,3-diaza-1,3-butadiene (III) lie across inversion centres in the space group P2(1)/n, and a combination of a C-H...O hydrogen bond and a pi...pi stacking interaction links the molecules into sheets. A total of four independent C-H...O hydrogen bonds link the molecules of (E,E)-1-(3-nitrophenyl)-4-(4-nitrophenyl)-2,3-diaza-1,3-butadiene (IV) into sheets. In (E,E)-1,4-bis(4-nitrophenyl)-2,3-diaza-1,3-butadiene (V) the molecules, which lie across centres of inversion in the space group P2(1)/n, are linked by just two independent C-H...O hydrogen bonds into a three-dimensional framework.

Journal Article↗
PubMed2006

Nine N-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions.

Structures are reported here for eight further substituted N-aryl-2-chloronicotinamides, 2-ClC(5)H(3)NCONHC(6)H(4)X-4'. When X = H, compound (I) (C(12)H(9)ClN(2)O), the molecules are linked into sheets by N-H...N, C-H...pi(pyridyl) and C-H...pi(arene) hydrogen bonds. For X = CH(3), compound (II) (C(13)H(11)ClN(2)O, triclinic P1 with Z' = 2), the molecules are linked into sheets by N-H...O, C-H...O and C-H...pi(arene) hydrogen bonds. Compound (III), where X = F, crystallizes as a monohydrate (C(12)H(8)ClFN(2)O.H(2)O) and sheets are formed by N-H...O, O-H...O and O-H...N hydrogen bonds and aromatic pi...pi stacking interactions. Crystals of compound (IV), where X = Cl (C(12)H(8)Cl(2)N(2)O, monoclinic P2(1) with Z' = 4) exhibit inversion twinning: the molecules are linked by N-H...O hydrogen bonds into four independent chains, linked in pairs by C-H...pi(arene) hydrogen bonds. When X = Br, compound (V) (C(12)H(8)BrClN(2)O), the molecules are linked into sheets by N-H...O and C-H...N hydrogen bonds, while in compound (VI), where X = I (C(12)H(8)ClIN(2)O), the molecules are linked into a three-dimensional framework by N-H...O and C-H...pi(arene) hydrogen bonds and an iodo...N(pyridyl) interaction. For X = CH(3)O, compound (VII) (C(13)H(11)ClN(2)O(2)), the molecules are linked into chains by a single N-H...O hydrogen bond. Compound (VIII) (C(13)H(8)ClN(3)O, triclinic P1 with Z' = 2), where X = CN, forms a complex three-dimensional framework by N-H...N, C-H...N and C-H...O hydrogen bonds and two independent aromatic pi...pi stacking interactions.

Crystallography, X-Ray↗
PubMed2006

N-(2-Hydroxy-3-iodo-5-nitrobenzylidene)-3-nitroaniline: conformational isomers linked into complex sheets by five C-H...O hydrogen bonds and a two-centre iodo-nitro interaction.

The title compound, C(13)H(8)IN(3)O(5), crystallizes with Z' = 2 in the space group P2(1)/n. The two independent molecules, which are both almost planar, are conformational isomers. The molecules are linked into complex sheets by a combination of five independent C-H...O hydrogen bonds and an almost linear two-centre iodo-nitro interaction.

Journal Article↗
PubMed2006

4-Iodo-N,N-bis(2-nitrophenylsulfonyl)aniline: a three-dimensional framework structure built from six independent C-H...O hydrogen bonds.

In the title compound [systematic name: 4-iodophenylimino bis(2-nitrobenzenesulfinate)], C(18)H(12)IN(3)O(8)S(2), where the molecules do not exhibit even approximate local symmetry, the molecules are linked into a complex three-dimensional structure by six independent C-H...O hydrogen bonds, which utilize O atoms in nitro and sulfonyl groups as the acceptors.

Journal Article↗
PubMed2006

2,4-Dinitrophenylhydrazine, redetermined at 120 K: a three-dimensional framework built from N-H...O, N-H...(O)2, N-H...pi(arene) and C-H...O hydrogen bonds.

In the title compound, C6H6N4O4, the bond distances indicate significant bond fixation, consistent with charge-separated polar forms. The molecules are almost planar and there is an intramolecular N-H...O hydrogen bond. The molecules are linked into a complex three-dimensional framework structure by a combination of N-H...O, N-H...(O)2, N-H...pi(arene) and C-H...O hydrogen bonds.

Journal Article↗
PubMed2006

Formation of ladders from R(4)4(8) and R(6)6(12) rings in 8-hydroxyquinolinium chloride monohydrate: comparisons with the supramolecular arrangements in related salts.

Molecules of the title compound, C9H8NO+.Cl-.H2O, are linked into two rings by strong hydrogen bonding via the free water molecules and the Cl- anions. The two hydrogen-bonded rings are joined to give a corrugated chain along [001]. Comparisons with other 8-hydroxyquinoline-based salts are also presented, highlighting similar ring structures in a 1:1 salt with Kemp's triacid (r-1,c-3,c-5-trimethylcyclohexane-1,3,5-tricarboxylic acid) and in 8-hydroxy-1-methylquinolinium chloride monohydrate.

Crystallography, X-Ray↗
PubMed2006

Hydrogen-bonded chains of rings linked by iodo-carbonyl interactions in 5-iodoisatin and hydrogen-bonded sheets in 7-trifluoromethylisatin.

In 5-iodoisatin (5-iodo-1H-indole-2,3-dione), C8H4INO2, the molecules are linked into chains of rings by N-H...O and C-H...O hydrogen bonds, and these chains are linked into sheets by iodo-carbonyl interactions. In 7-trifluoromethylisatin (7-trifluoromethyl-1H-indole-2,3-dione), C9H4F3NO2, the molecules are linked into sheets of centrosymmetric R(2)2(8) and R(6)6(34) rings by N-H...O and C-H...O hydrogen bonds.

Crystallography, X-Ray↗
PubMed2006

A three-dimensional framework of pi-stacked hydrogen-bonded chains in benzyl 4-chloro-3-nitrobenzoate, and chains of hydrogen-bonded rings in benzyl 4-nitrobenzoate, redetermined at 120 K.

Benzyl 4-chloro-3-nitrobenzoate, C14H10ClNO4, crystallizes with Z' = 2 in the space group P-1. The molecules are linked by three independent C-H...O hydrogen bonds into chains of edge-fused R(4)4 (26) and R(4)4 (34) rings, and these chains are linked into a three-dimensional framework structure by aromatic pi-pi stacking interactions. In benzyl 4-nitrobenzoate, C14H11NO4, the molecules are linked by two independent C-H...O hydrogen bonds into chains containing two types of R(2)2 (10) ring.

Benzyl Compounds↗
PubMed2006

2,4-Difluorobenzaldehyde benzoylhydrazone and 2,4-dichlorobenzaldehyde benzoylhydrazone are isostructural at 120 K with Z' = 2: complex sheets built from N-H...O, C-H...O and C-H...pi(arene) hydrogen bonds.

At 120 K, 2,4-difluorobenzaldehyde benzoylhydrazone, C14H10F2N2O, (I), and 2,4-dichlorobenzaldehyde benzoylhydrazone, C14H10Cl2N2O, (II), are isomorphous and isostructural in P2(1)/n with Z' = 2. In each structure, eight independent hydrogen bonds, viz. two of N-H...O type, five of C-H...O type and one of C-H...pi(arene) type, link the molecules into complex sheets, within which two independent one-dimensional substructures can be identified.

Journal Article↗