(2S)‐2‐[1‐(2,4‐Di­fluoro‐5‐iodo­phenyl)‐2‐deoxy‐β‐d‐ribo­furanos‐5‐yloxy]‐8‐methyl‐4H‐1,3,2‐benzodioxa­phosphole 2‐oxide

The title compound, C₁₉H₁₈F₂IO₆P, prepared as a potential antiviral and anticancer agent from 3‐methyl­salicyl­chloro­phosphane and 1‐(2,4‐di­fluoro‐5‐iodo­phenyl)‐2‐deoxy‐β‐d ‐ribo­furan­ose, is one of a 1:1 mixture of two diastereomers. The diastereomers differ in their configuration, S or R, at the asymmetric phosphorus center. X‐Ray crystallographic analysis of the title compound has determined the absolute configuration at the asymmetric P center to be S.     

(Z)‐2‐(3‐Hydroxy‐4‐methoxybenzylidene)‐1‐azabicyclo[2.2.2]octan‐3‐one

Crystals of the title compound, C₁₅H₁₇NO₃, were obtained from a condensation reaction of 3‐hydroxy‐4‐methoxy­benz­aldehyde with 1‐aza­bi­cyclo­[2.2.2]­octan‐3‐one and subsequent crystallization of the product from methanol. The title compound, containing a double bond that connects the aza­bicyclic ring system to the 3‐hydroxy‐4‐methoxy­benzyl­idene group, was obtained with Z geometry.     

(2RS,5SR,6SR)‐Methyl 4‐{cis‐2‐[3‐fluoro‐5‐(4‐methoxy‐3,4,5,6‐tetrahydro‐2H‐pyran‐4‐yl)phenoxy­methyl]‐6‐hydroxy‐3‐phenylmorpholino}­benzene­sulfinate

The title compound, C₃₀H₃₄FNO₇S, is a key inter­mediate in the design of dual 5‐LOX (5‐lipoxygenase)/COX‐2 (cyclo­oxygenase‐2) inhibitors. The compound crystallizes as a racemate. Linear hydrogen‐bonded chains are aligned along the [201] direction, and stacked π–π inter­actions and C—H⋯O contacts stabilize the crystal structure.     

2‐Iso­propyl‐4‐methyl‐4‐phenyl‐1,2,3,4‐tetra­hydro­iso­quinoline‐1‐thione

The title compound, C₁₉H₂₁NS, is the photoproduct obtained from N‐iso­propyl‐N‐[(E)‐2‐phenyl­propenyl]­thio­benz­amide. Recrystallization showed a spontaneous resolution.     

Methyl 4‐(2‐chloro‐5‐nitro­phenyl)‐2,7,7‐tri­methyl‐5‐oxo‐1,4,5,6,7,8‐hexa­hydro­quinoline‐3‐carboxyl­ate

The title compound, C₂₀H₂₁ClN₂O₅, has potential calcium modulatory properties. The 1,4‐di­hydro­pyridine ring has the usual shallow boat conformation. The 2‐chloro‐5‐nitro­phenyl ring is oriented such that the chloro substituent is in a synperiplanar orientation with respect to the 1,4‐di­hydro­pyridine ring plane, while the nitro substituent sits over the 1,4‐di­hydro­pyridine ring. The cyclo­hexenone ring has a conformation that is approximately half‐way between that of an envelope and that of a half‐chair. The mol­ecules are linked into chains by intermolecular N—H⋯O hydrogen bonds.     

5‐Butyl‐4‐(4,4,5,5‐tetra­methyl‐1,3,2‐dioxaborolan‐2‐yl)‐3‐(2,4,6‐tri­methyl­phenyl)­isoxazole

A novel [3+2]‐cyclo­addition reaction of alkynyl­boronates and nitrile oxides gave the title compound, C₂₂H₃₂BNO₃, as a single regioisomer. The X‐ray crystal structure analysis of this compound shows two independent mol­ecules in the asymmetric unit, each with approximately coplanar isoxazole and boronate rings.     

(4S,5S)‐(+)‐4‐Hydro­xy­methyl‐2,5‐di­phenyl­oxazoline

The absolute configuration of the title compound, alter­natively called (+)‐(4,5‐di­hydro‐2,5‐di­phenyl­oxazol‐4‐yl)­methanol, C₁₆H₁₅NO₂, has been confirmed as 4S,5S. The hydroxy­methyl group and phenyl ring at the asymmetric C atoms exhibit β and α orientations, respectively. The exocyclic C—C bonds at the asymmetric C atoms are mutually anticlinal (?ac). The hydroxyl group and the N atom of the oxazoline ring are involved in an intermolecular hydrogen bond leading to chains of mol­ecules.     

N,N‐Diethyl‐2,6,6‐trimethyl‐4‐(3‐nitrophenyl)‐5‐oxo‐1,4,5,6,7,8‐hexahydroquinoline‐3‐carboxamide

The title compound, C₂₃H₂₉N₃O₄, has potential calcium modulatory properties. The conformation of the 1,4‐di­hydro­pyridine ring is unusual in that it is planar, instead of the usual shallow boat. The 3‐nitro­phenyl substituent is in the synperiplanar orientation with respect to the di­hydro­pyridine ring plane. The oxo­cyclo­hexene ring has a distorted envelope conformation, with the out‐of‐plane atom being disordered on opposite sides of the ring plane. The mol­ecules are linked into chains by intermolecular hydrogen bonds.     

2‐Amino‐5‐methyl­pyridinium (2‐amino‐5‐methyl­pyridine)trichloro­zincate(II)

The title compound, (C₆H₉N₂)[ZnCl₃(C₆H₈N₂)], consists of one 2‐amino‐5‐methyl­pyridinium cation and one (2‐amino‐5‐methyl­pyridine)trichloro­zincate(II) anion, which are held together by N—H·Cl hydrogen bonds and π–π inter­actions. The cation and the pyridine ligand show similar geometric features, except for the N—C bond lengths. Mol­ecules of the title compound are connected by N—H·Cl hydrogen bonds to form chiral chains; these chains are associated further by C—H·Cl hydrogen bonds to form layers, which are in turn linked by π–π inter­actions.     

4‐[4‐(Di­methyl­amino)­benzyl­idene­amino]‐3,5‐bis(2‐pyridyl)‐4H‐1,2,4‐triazole

The title compound, C₂₁H₁₉N₇, is a poly­pyridine ligand that is suitable for assembling complex metal systems capable of photoinduced electron transfer. The solid‐state structure has been determined at room temperature by single‐crystal X‐ray diffraction. The mol­ecule is not flat and both the bis­(pyridyl)­triazole and the benzyl­id­ene­amine fragments show significant distortions from planarity.     

Methyl (±)‐1‐ethyl‐2‐hydroxy‐4‐(4‐methoxybenzoyl)‐5‐(4‐methoxyphenyl)‐3‐oxo‐2,3‐di­hydro‐1H‐pyrrole‐2‐acetate

The title compound, C₂₄H₂₅NO₇, is a racemic mixture of 2,3‐di­hydro‐1H‐pyrrol‐3‐ones. It crystallizes in the triclinic system, space group P1, with Z = 2. The asymmetric unit contains two enantiomorphic mol­ecules and the structure is stabilized by hydrogen‐bond contacts.     

4‐(4‐Chloro­phen­yl)‐3‐(4‐phenyl­pent‐4‐en­yloxy)‐1,3‐thia­zole‐2(3H)‐thione

The title compound, C₂₀H₁₈ClNOS₂, is a thia­zole‐derived thio­hydroxamic acid O‐ester. The value of Z′ is 3 and the asymmetric unit comprises three mol­ecules of identical helicity along the N—O bond. Two of these show an anti and the third a syn arrangement of substituents attached in positions 3 and 4 to the 1,3‐thia­zole nucleus.     

1,2,4‐Triazolo­[2,3‐h]‐7,9‐thi­aza‐11‐crown‐4

The title compound, 4,7‐dioxa‐10‐thia‐1,12,13‐tri­aza­bi­cyclo­[9.3.0]­tetra­deca‐11,13‐diene, C₈H₁₃N₃O₂S, contains an 11‐membered ring, which appears in a chair conformation and has approximate mirror symmetry. It may be used for the complexation of metal atoms.     

10‐Ethyl‐3‐(4‐methoxy­phenyl)‐1,2,4‐triazolo­[4′,3′:2,3]‐1,2,4‐triazino[5,6‐b]­indole

Oxidative cyclization of 5‐ethyl‐3‐(4‐methoxy­benzyl­idene)­hydrazino‐1,2,4‐triazino­[5,6‐b]­indole gave the linearly annel­ated title compound, C₁₉H₁₆N₆O. The skeleton is approx­imately planar, except for the ethyl group.     

(4S,5S)‐4‐[(1R)‐1,2‐Di­hydroxy­ethyl]‐5‐tri­decyl‐1,3‐oxazolidin‐2‐one

The title compound, C₁₈H₃₅NO₄, is a new bioactive amphiphilic lipid with a cis‐substituted 1,3‐oxazolidin‐2‐one head group. In the crystal structure, the mol­ecules form intercalating bilayers in which the oxazolidinone head groups are joined together by hydrogen bonds into chains.     

Benzyl 5‐carboxy‐4‐ethyl‐3‐methyl­pyrrole‐2‐carboxyl­ate

In the title compound, C₁₆H₁₇NO₄, the benzyl­oxy­carbonyl group is anti to the pyrrolic N atom. The mol­ecules are joined into head‐to‐head dimers by hydrogen bonds involving the carboxyl­ic acid groups. There is orientational disorder of these groups over two positions with approximately equal occupancy. A weaker hydrogen bond between the pyrrolic N atom and the carbonyl O atom of the benzyl­oxy­carbonyl group joins the dimers into chains running parallel to the [110] direction.     

rac‐(Z)‐Ethyl 2‐bromo‐2‐[(3R,5R)‐3‐bromo‐5‐methyl­tetra­hydro­furan‐2‐yl­idene]acetate

In the title compound, C₉H₁₂Br₂O₃, a (tetra­hydro­furan‐2‐yl­idene)acetate, the double bond has the Z form. In the tetra­hydro­furan group, the relative configuration of the Br atom in the 3‐position and the methyl group in the 5‐position is anti. The compound crystallizes with two independent mol­ecules per asymmetric unit and, in the crystal structure, the individual mol­ecules are linked to their symmetry‐equivalent mol­ecules by C—H⋯O hydrogen bonds, so forming centrosymmetric hydrogen‐bonded dimers.     

2‐Meth­oxy‐4‐[(5‐oxo‐2‐phenyl‐4,5‐dihydro‐1,3‐oxazol‐4‐yl­idene)meth­yl]­phenyl 4‐methyl­benzene­sulfonate

Mol­ecules of the title compound, C₂₄H₁₉NO₆S, adopt the Z configuration and have a distorted tetra­hedral geometry around the S atom. The oxazolone, 2‐phenyl and methoxy­phenyl rings are approximately coplanar. The C atom between the methoxy­phenyl and oxazolone rings displays a distorted trigonal bonding geometry. Pairs of mol­ecules are linked into dimers through weak C—H⋯O hydrogen bonds.     

2′‐Hydroxy‐4′′‐dimethylaminochalcone

The title compound, 3‐[4‐(di­methyl­amino)­phenyl]‐1‐(2‐hydroxy­phenyl)­prop‐2‐en‐1‐one, C₁₇H₁₇NO₂, is a chalcone derivative substituted by 2′‐hydroxyl and 4′′‐di­methyl­amino groups. The crystal structure indicates that the aniline and hydroxy­phenyl groups are nearly coplanar, with a dihedral angle of 10.32 (16)° between their phenyl rings. The molecular planarity of this substituted chalcone is strongly affected by the 2′‐hydroxyl group.     

3‐Methyl 5‐isopropyl 2‐methoxy­imino­methyl‐6‐methyl‐4‐(3‐nitro­phenyl)‐1,4‐di­hydro­pyridine‐3,5‐di­carboxyl­ate

The crystal structure of the title compound, C₂₀H₂₃N₃O₇, consists of relatively isolated mol­ecules. The substituted 1,4‐di­hydro­pyridine ring adopts a flattened boat conformation. Both ester groups, at positions 3 and 5, have cis,cis geometry. The phenyl ring is nearly planar and is approximately perpendicular to the 1,4‐di­hydro­pyridine ring (dihedral angle 87.70°).