The coumarin-pyrazole dye for detection of hydrogen sulfide in cells.

Fluorescent probes for H2S are often interfered by other thiols. In this work, a coumarin-pyrazole dye with 2,4-dinitrosulfonyl group was designed for the detection of H2S. The probe exhibits weak fluorescence in water due to the photo induced electron transfer (PET) by 2,4-dinitrosulfonyl. After the sulfonyl group is cleaved off by H2S, strong fluorescence appears. The probe can specifically detect H2S without being interfered by other biological thiols, and shows a wide applicable pH range, low detection and wide detection range. The excellent detection properties of the probe can also be used to detect endogenous and exogenous H2S in cells. In addition, the probes can be made into portable test paper for the detection of H2S in solutions and can detect H2S in different water samples.

A π-extended benzothiadiazole derivative for a high-efficiency TADF-sensitized fluorescent organic light-emitting diode.

A new fluorescent emitter based on π-extended benzothiadiazole was synthesized. The emitter exhibited a large molar extinction coefficient, a high quantum yield of 98% and a large radiative decay rate of 108 s-1. Moreover, the obtained TADF-sensitized fluorescent OLED displayed excellent device performance with a high EQEmax of 14.3%.

3-(2,4-Dichloro-phen-yl)-2-oxo-1-oxaspiro-[4.5]dec-3-en-4-yl 2-methyl-prop-2-enoate.

In the title mol-ecule, C(19)H(18)Cl(2)O(4), the cyclo-hexane ring adopts a chair conformation. The furan ring is essentially planar and forms a dihedral angle of 82.1 (1)° with the benzene ring. In the crystal, weak C-H⋯O interactions are present.

2-[1-(1-Phenyl-eth-yl)imidazolidin-2-yl-idene]malononitrile.

In the title compound, C(14)H(14)N(4), the imidazolidine moiety is nearly planar, having an N-C-N-C torsion angle of 4.43 (3)°. The crystal structure is characterized by classical N-H⋯N hydrogen bonds, which form inversion dimers.

(±)-2-{3-[1-(2,4-Difluoro-phen-yl)eth-yl]-1,3-thia-zolidin-2-yl-idene}malononitrile.

In the title compound, C(14)H(11)F(2)N(3)S, the heterocyclic five-membered ring has an envelope conformation. Although the mol-ecule is chiral, the compound is a racemate (R/S). There is a weak inter-molecular C-H⋯π inter-action but no classical hydrogen bonds are observed in the crystal structure.

(E)-5-Benzyl-1-methyl-N-nitro-1,3,5-triazinan-2-imine.

In the title compound, C(11)H(15)N(5)O(2), the 1,3,5-triazine ring exhibits a half-chair conformation. An intra-molecular N-H⋯O inter-action occurs. In the crystal structure, mol-ecules are connected by inter-molecular C-H⋯O and N-H⋯N hydrogen bonds, forming a zigzag chain along the b axis.

2-{3-[1-(3,4-Dichloro-phen-yl)eth-yl]-1,3-thia-zolidin-2-yl-idene}malononitrile.

In the title compound, C(14)H(11)Cl(2)N(3)S, the thia-zole ring is in an envelope conformation with the -CH(2)- group bonded to the S atom forming the flap. The crystal structure is stabilized by weak inter-molecular C-H⋯Cl and C-H⋯N hydrogen bonds.

(E)-3-[1-(2,4-Difluoro-phen-yl)eth-yl]-5-methyl-N-nitro-1,3,5-oxadiazinan-4-imine.

The 1,3,5-oxadiazinane ring in the title compound, C(12)H(14)F(2)N(4)O(3), has a conformation inter-mediate between half-chair and screw-boat. The crystal structure is stabilized by weak inter-molecular C-H⋯O hydrogen bonds. Weak π-π inter-actions are indicated by the relatively long centroid-centroid distance of 3.9199 (12) Šand inter-planar distance of 3.803 Šbetween symmetry-related benzene rings from neighbouring mol-ecules.

(Z)-2-(1,3-Thia-zolidin-2-yl-idene)cyan-amide.

In the title compound, C(4)H(5)N(3)S, the tdihydrothiazole ring is almost planar, the maximum and minimum deviations being 0.188 (2) Šand 0.042 (3) Å, respectively. The crystal structure involves intermolecular N-H⋯N hydrogen bonds.

(Z)-N-{3-[1-(4-Chloro-phen-yl)eth-yl]thia-zolidin-2-yl-idene}cyanamide.

The title compound, C(12)H(12)ClN(3)S, features a thia-zolyl ring having an envelope conformation with the -CH(2)- group bonded to the S atom forming the flap. The C=N double bond has a Z configuration. The crystal structure shows inter-molecular C-H⋯S hydrogen bonds.

rac-(E)-3-[1-(2-Chloro-phen-yl)eth-yl]-5-methyl-N-nitro-1,3,5-oxadiazinan-4-imine.

In the title compound, C(12)H(15)ClN(4)O(3), which has potential insecticidal activity, the oxadiazine ring and the benzene ring make a dihedral angle of 84.63 (2)° to one another. The crystal packing involves weak inter-molecular C-H⋯O hydrogen bonds.

(E)-1-[1-(4-Chloro-phen-yl)eth-yl]-3,5-dimethyl-N-nitro-1,3,5-triazinan-2-imine.

In the title compound, C(13)H(18)ClN(5)O(2), the 1,3,5-triazinane ring exhibits an envelope conformation with an E form. The chloro-phenyl ring and the nitro group are each twisted with respect to the mean plane of the triazinane ring, making dihedral angles of 67.30 (9) and 83.54 (8)°, respectively. In the crystal, weak inter-molecular C-H⋯O hydrogen bonds build up a corrugated layer parallel to the (101) plane.

Synthesis and fungicidal evaluation of 2-arylphenyl ether-3-(1H-1,2,4-triazol-1-yl)propan-2-ol derivatives.

A series of novel 2-arylphenyl ether-3-(1H-1,2,4-triazol-1-yl)propan-2-ol derivatives were designed and synthesized as candidate fungicides. The new compounds were identified by (1)H NMR spectroscopy and element analysis. Their antifungal activities were evaluated. They exhibited excellent antifungal activities against five common pathogens in comparison with the commercial fungicides tebuconazole and difenoconazole. The antifungal activities of three new triazole alcohol compounds were compared with those of tebuconazole and difenoconazole at a concentration of 1 mug/mL.

4-But-oxy-3-(2,4-dichloro-phen-yl)-1-oxaspiro-[4.5]dec-3-en-2-one.

In the title compound, C(19)H(22)Cl(2)O(3), the cyclo-hexane ring adopts a chair conformation. The furan ring plane forms dihedral angles of 81.88 (2) and 50.19 (3)°, respectively, with the benzene ring and the plane formed by the butyl C atoms. The crystal structure is stabilized by weak inter-molecular C-H⋯O hydrogen bonds.

4-Benz-yloxy-3-(2,4-dichloro-phen-yl)-1-oxaspiro-[4.5]dec-3-en-2-one.

In the title compound, C(22)H(20)Cl(2)O(3), the cyclo-hexyl ring adopts a chair conformation. The furanyl ring plane makes dihedral angles of 70.10 (2) and 86.12 (3)° with the 2,4-dichloro-phenyl ring and aromatic ring of the benzyl group, respectively. The crystal structure features weak inter-molecular C-H⋯O and C-H⋯Cl hydrogen bonds.

4-[(6-Chloro-2-pyrid-yl)meth-oxy]-3-(2,4-dichloro-phen-yl)-1-oxaspiro-[4.5]dec-3-en-2-one.

In the title compound, C(21)H(18)Cl(3)NO(3), the cyclo-hexane ring is in a chair conformation. The five-membered ring forms a dihedral angle of 69.89 (2)° with the benzene ring. The dihedral angle between the benzene and pyridine rings is 14.03 (7)°.

Erratum: 4-[(6-Chloro-2-pyrid-yl)meth-oxy]-3-(2,4-dichloro-phen-yl)-1-oxaspiro-[4.5]dec-3-en-2-one. Corrigendum.

The chemical name of the title compound in the paper by Xu, Huang & Guo [Acta Cryst. (2009), E65, o846] is corrected and the structural diagram is updated.[This corrects the article DOI: 10.1107/S1600536809010101.].

2-n-Butyl-1,2-benzisothia-zol-3(2H)-one 1,1-dioxide.

The crystal packing of the title compound, C(11)H(13)NO(3)S, exhibits weak inter-molecular C-H⋯O hydrogen bonding, which links mol-ecules related by translation along the b axis into chains, and π-π inter-actions [centroid-centroid distance of 3.778 (2) Šbetween benzene rings].

(E)-N-(6-Chloro-3-pyridylmeth-yl)-N-ethyl-N'-methyl-2-nitro-ethyl-ene-1,1-diamine.

In the title compound, C(11)H(15)ClN(4)O(2), the amino group is involved in intra- and inter-molecular N-H⋯O hydrogen bonds. The former contributes to the mol-ecular conformation, while the latter link the mol-ecules into centrosymmetric dimers. The crystal structure also exhibits weak inter-molecular C-H⋯O inter-actions.

Bis[4-(chloro-acet-yl)phenyl] ether.

The title compound, C(16)H(12)Cl(2)O(3), crystallizes with two independent mol-ecules in the asymmetric unit. The dihedral angles between the planes of the benzene rings in the two independent mol-ecules are 68.65 (2) and 68.47 (3)°. The short distance of 3.899 (5) Šbetween the centroids of the benzene rings of neighbouring mol-ecules indicate π-π inter-actions. The crystal structure is stabilized by a network of intermolecular C-H⋯O hydrogen bonds.