2-(4-Nitrophenoxy)benzoic acid: a three-dimensional hydrogen-bonded framework in a triclinic structure having Z' = 3.

The title compound, C(13)H(9)NO(5), crystallizes in space group P-1, with Z' = 3. The molecules are linked by O-H..

2,3-Bis[(4-methylphenyl)sulfanyl]-4H-1-benzothiopyran-4-one 1,1-dioxide forms a framework built from C-H...O, C-H...pi(arene) and pi-pi interactions.

Molecules of the title comound, C(23)H(18)O(3)S(3), are linked into sheets by a combination of one C-H...

(R)-2,3,4,5-Tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine and rac-5-benzoyl-2,3,4,5-tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine: chains built from N-H... Sand C-H...pi(arene) hydrogen bonds.

Molecules of (R)-2,3,4,5-tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine, C(12)H(17)NS, are linked into spiral C(5) chains by a single N-H...

Hydrogen bonding in substituted nitroanilines: hydrogen-bonded sheets in 4-iodo-3-nitroaniline.

In the title compound, C(6)H(5)IN(2)O(2), the nitro group is disordered over two sets of sites, each with 0.5 occupancy, and the amino N atom is pyramidal. The molecules are linked into sheets by a combination of three-centre N-H.

N,N'-Propylenedioxybis(2,4,6-trimethylbenzenesulfonamide): molecules of unexpected conformation form a molecular ladder built from two independent N-H...O=S hydrogen bonds.

Molecules of the title compound, C(21)H(30)N(2)O(6)S(2), adopt a skeletal conformation which does not possess even approximate internal symmetry. The molecules are linked by two N-H..

2-nitrophenoxyacetanilide: a chain of rings generated by C-H...O hydrogen bonds.

In molecules of the title compound, C(14)H(12)N(2)O(4), the conformation is dominated by an intramolecular N-H.O hydrogen bond in which one of the nitro O atoms is the acceptor. The molecules are linked by paired C-H.

2-amino-3-hydroxy-4-phenylthiazolium chloride: pi-stacked hydrogen-bonded chains of edge-fused R(4)(2)(11) rings.

In the title compound, C(9)H(9)N(2)OS(+).Cl(-), the cations exhibit amidinium-type delocalization of the positive charge. The ions are linked by one O-H.

(Cyclohexylideneamino)oxyacetic acid and [chloro(phenyl)methyleneamino]oxyacetic acid: hydrogen-bonded R(2)(2)(8) dimers and aromatic pi-pi stacking interactions.

Molecules of (cyclohexylideneamino)oxyacetic acid, C(8)H(13)NO(3), (I), are linked into centrosymmetric dimers by pairs of O-H.O hydrogen bonds [H.O = 1.

Molecular conformation and supramolecular aggregation in two fused pyrazoles: pi-stacked R(2)(2)(6) dimers in 2,8,8-trimethyl-6,7,8,9-tetrahydropyrazolo[2,3-a]quinazolin-6-one, and sheets of alternating R(2(2)12) and R(6)(6)(48) rings in 3-tert-butyl-4',4'-dimethyl-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridine-5-spiro-1'-cyclohexane-2',6'-dione.

In 2,8,8-trimethyl-6,7,8,9-tetrahydropyrazolo[2,3-a]quinazolin-6-one, C(13)H(15)N(3)O, (I), the heterobicyclic system is planar and exhibits peripheral ten pi-electron delocalization. In 3-tert-butyl-4',4'-dimethyl-1-phenyl-4,5,6,7-tetrahydro-1H- pyrazolo[3,4-b]pyridine-5-spiro-1'-cyclohexane-2',6'-dione, C(23)H(25)N(3)O(2), (II), the pyrazole ring exhibits marked bond fixation, while the reduced pyridine ring adopts a half-chair conformation. Molecules of (I) are linked into centrosymmetric R(2)(2)(6) dimers by a single C-H.

(E)-1-(2-hydroxyphenyl)propan-2-one O-methyloxime forms hydrogen-bonded chains of edge-fused R(4)(4)(16) and R(4)(4)(24) rings.

The title compound, C(10)H(13)NO(2), crystallizes with Z' = 2 in space group P-1. The molecules are linked by two O-H.N hydrogen bonds [H.

Micro-ethane-1,2-diylbis(diphenylphosphine oxide)-kappa(2)O:O'-bis[dibenzyldichlorotin(IV)]: a centrosymmetric complex containing trigonal-bipyramidal tin(IV), linked into chains of rings by C-H.pi(arene) hydrogen bonds.

The title compound, [Sn(2)Cl(4)(C(7)H(7))(4)(C(26)H(24)O(2)P(2))], (I), was isolated from the reaction of 1,2-bis(diphenylphosphino)ethane with dibenzyltin(IV) dichloride in the presence of air. The molecules of (I) lie across centres of inversion in space group C2/c and contain five-coordinate Sn atoms. The molecules are linked into chains of rings by a single C-H.

5-Amino-3-tert-butyl-1-(4-nitrophenyl)-1H-pyrazole forms hydrogen-bonded sheets of alternating R2(2)(20) and R6(6)(32) rings.

Molecules of the title compound, C13H16N4O2, are linked by one N-H...

4-Amino-5-(2-hydroxy-4,4-dimethyl-6-oxocyclohexenylmethyl)-1-methyl-2-(methylsulfanyl)pyrimidin-6(1H)-one: hydrogen-bonded chains are pi-stacked in pairs.

Molecules of the title compound, C15H21N3O3S, have a markedly polarized electronic structure; the carbocyclic ring adopts an envelope conformation and the overall molecular conformation appears to be controlled by two intramolecular hydrogen bonds, one each of the O-H...

Racemic 5-(4-chlorophenyl)-2-methoxyindeno[1',2':2,3]pyrido[5,6-d]pyrimidine-4,6(3H,5H)-dione-dimethylformamide (1/1) and (5RS,5aSR,10bSR)-10b-hydroxy-2-methoxy-5-(4-methoxyphenyl)-5a,10b-dihydroindeno[1',2':2,3]pyrido[5,6-d]pyrimidine-4,6(3H,5H)-dione-dimethylformamide (1/1): chains of rings generated by N-H...O and C-H...pi(arene) hydrogen bonds.

5-(4-Chlorophenyl)-2-methoxyindeno[1',2':2,3]pyrido[5,6-d]pyrimidine-4,6(3H,5H)-dione crystallizes as a 1:1 dimethylformamide solvate, C21H14ClN3O3.C3H7NO. The heterocyclic molecules contain a planar fused-ring system and they are linked by paired N-H.

Pi-stacked hydrogen-bonded dimers in 2-(2-nitrophenylaminocarbonyl)benzoic acid, and hydrogen-bonded sheets in orthorhombic and monoclinic polymorphs of 2-(4-nitrophenylaminocarbonyl)benzoic acid.

Molecules of 2-(2-nitrophenylaminocarbonyl)benzoic acid, C(14)H(10)N(2)O(5), are linked into centrosymmetric R(2)(2)(8) dimers by a single O-H.O hydrogen bond [H.O = 1.

Symmetrically 4,6-disubstituted 2-aminopyrimidines and 2-amino-5-nitrosopyrimidines: interplay of molecular, molecular-electronic and supramolecular structures.

The structures of six symmetrically 4,6-disubstituted 2-aminopyrimidines, four of them containing a 5-nitroso substituent, have been determined. The nitroso compounds, in particular, exhibit polarized molecular-electronic structures leading to extensive charge-assisted hydrogen bonding. The intermolecular interactions observed include hard hydrogen bonds of N-H.

Hydrated metal(II) complexes of N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, glycylglycine, threonine, serine, valine and methionine: a monomeric complex and coordination polymers in one, two and three dimensions linked by hydrogen bonding.

Nine hydrated complexes of Group 2 (alkaline earth) cations with organic ligands which are N-substituted amino acids containing the 6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl group have been structurally characterized. The octahydrated calcium glycinate complex, where the six-coordinate Ca cation lies on an inversion centre in the space group P(-)1, forms a finite (zero-dimensional) complex. The hexahydrated barium glycinate complex contains eight-coordinate Ba and it is isostructural with the known Sr analogue, and its one-dimensional coordination polymer takes the form of a simple chain.

Methyl 4-nitrophenyl sulfoxide: pi-stacked chains of hydrogen-bonded R2 2(10) dimers.

Molecules of the title compound, C(7)H(7)NO(3)S, are linked into centrosymmetric R(2)(2)(10) dimers by paired C-H...

Hydrogen bonding in C-substituted nitroanilines: a chain of R3 3(12)rings in 2-methanesulfonyl-4-nitroaniline.

The title compound, C(7)H(8)N(2)O(4)S, exhibits a markedly polarized molecular-electronic structure. The molecules are linked into a chain of edge-fused R(3)(3)(12) rings by two N-H..

(E,E)-1,4-Diethyl-1,4-diphenyl-2,3-diazabutadiene.

Molecules of the title compound [(E,E)-propiophenone azine], C(18)H(20)N(2), lie across centres of inversion in space group P2(1)/c. The conformations of similar simple azines are discussed in terms of the soft hydrogen bonds present in the structures.

Hydrogen bonding in C-substituted nitroanilines: pi-stacked sheets of R4 4(20) and R4 4(28) rings in 2-cyano-4-nitroaniline.

In the title compound, C(7)H(5)N(3)O(2), which crystallizes with Z' = 2 in space group P2(1)/c, the two independent molecules both exhibit positional disorder, with refined site-occupancy factors of 0.947 (2) and 0.053 (2) for the major and minor components, respectively.

Hydrogen bonding in nitroaniline analogues: 4-nitrobenzaldehyde hydrazone forms hydrogen-bonded sheets of R4 4(26) rings.

Molecules of the title compound, C(7)H(7)N(3)O(2), are linked by two N-H...

Three N2-benzoyloxybenzamidines: sheet structures built from hard and soft hydrogen bonds and aromatic pi-pi stacking interactions.

Molecules of the title compounds N(2)-(benzoyloxy)benzamidine, C(14)H(12)N(2)O(2), (I), N(2)-(2-hydroxybenzoyloxy)benzamidine, C(14)H(12)N(2)O(3), (II), and N(2)-benzoyloxy-2-hydroxybenzamidine, C(14)H(12)N(2)O(3), (III), all have extended chain conformations, with the aryl groups remote from one another. In (I), the molecules are linked into chains by a single N-H..

A three-dimensional hydrogen-bonded framework in N-(3-nitrophenyl)phthalimide, and hydrogen-bonded chains of rings in N-(3,5-dinitrophenyl)phthalimide, linked into sheets by dipolar interactions.

Molecules of N-(3-nitrophenyl)phthalimide, C(14)H(8)N(2)O(4), are linked into a three-dimensional framework by four distinct C-H...

Hydrogen-bonded chains of rings in 3-iodobenzaldehyde 2,4-dinitrophenylhydrazone and 4-iodobenzaldehyde 2,4-dinitrophenylhydrazone, and a three-dimensional framework in 4-iodobenzaldehyde 4-nitrophenylhydrazone generated by the combination of N-H...O and C-H...O hydrogen bonds with iodo-nitro interactions.

Molecules of 3- and 4-iodobenzaldehyde 2,4-dinitrophenylhydrazone, C(13)H(9)IN(4)O(4), are both effectively planar. In the crystal structure of each compound, molecules are linked by a combination of N-H..