N′-[1-(4-Nitrophenyl)ethylidene]acetohydrazide (2009)
Yu-Feng Li, Lian-Cai Du, Fang-Fang Jian
The title compound, C10H11N3O3, was prepared by the reaction of acetohydrazide and 1-(4-nitrophenyl)ethanone. The asymmetric unit contains two crystallographically independent molecules....
Fang-Fang Jian, Song-Jiang Han
The title compound, [Ni2(C12H12N2O4S3)(H2O)4]·2C3H7NO·3H2O, is made up of a centrosymmetric, bimetallic complex containing a 24-membered macrocyclic ring, two dimethylformamide and three...
tert-Butylaminium phosphite (2009)
In the title compound, C4H12N+·H2PO3−, the components are linked by intermolecular N—H...O and O—H...O hydrogen bonds, resulting in a two-dimensional framework.
Di-μ-chromato-κ4O:O′-bis[bis(phenanthroline-κ2N,N′)cadmium(II)] dihydrate (2009)
Hai-Xing Liu, Fang-Fang Jian, Jing Wang
In the title compound, [Cd2Cr2O8(C12H8N2)4]·2H2O, which was obtained by hydrothermal reaction of CdCO3 and phenanthroline with K2CrO4 at 393 K, two distorted Cd(N4O2) octahedra are linked...
3-(4-Fluorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one (2009)
Pu-Su Zhao, Xian Wang, Huan-Mei Guo, Fang-Fang Jian
The title compound, C16H13FO2, was prepared from 4-methoxyhypnone and 4-fluorobenzophenone by Claisen–Schmidt condensation. All the bond lengths and bond angles are in normal ranges. The...
2-Hydroxybenzoic acid–purin-6-amine (3/1) (2009)
Lian-cai Du, Wu-lan Zeng, Xue-ying Liu, Fang-Fang Jian
In the title 3:1 adduct, 3C7H6O3·C5H5N5, an intramolecular O—H...O hydrogen bond occurs in each of the three 2-hydroxybenzoic acid molecules. In the crystal, the components are linked by...
The title compound, C19H28N8O2, was prepared by the reaction of N2,N2,N4,N4-tetraethyl-6-hydrazino-1,3,5-triazine-2,4-diamine and 1-(4-nitrophenyl)ethanone in ethanol at room temperature. The...
3-(2-Furylmethylene)-1,5-dioxaspiro[5.5]undecane-2,4-dione (2009)
In the title molecule, C14H14O5, the 1,3-dioxane ring is in an envelope conformation with the ring C atom common to the cyclohexane ring forming the flap. The other five atoms of the 1,3-dioxane ring...
2-(1H-Benzotriazol-1-yl)-1-(3-methylbenzoyl)ethyl benzoate (2009)
Wu-Lan Zeng, Lian-Cai Du, Lei Zhang, Fang-Fang Jian
In the title molecule, C23H19N3O3, the dihedral angles between the mean plane of the benzotriazole ring system and the benzene and phenyl rings are 9.67 (9) and 86.08 (10)°,...
Ammonium 2-(2,4-dichlorophenoxy)acetate hemihydrate (2009)
Hui-Lian Liu, Shu-Hua Guo, Yun-Ying Li, Fang-Fang Jian
The title compound, NH4+·C8H7Cl2O6−·0.5H2O, was prepared by the reaction of 2-(2,4-dichlorophenoxy)acetic acid and ammonia in water at 367 K. The molecular structure and packing...
4,4′-Bis(2-methoxylstyryl)biphenyl (2009)
The title compound, C30H26O2, was prepared by the reaction of a Wittig reagent and 2-methoxybenzaldehyde. The molecule lies about an inversion centre located at the midpoint of the C—C bond...
The title compound, C28H22O6S2·2C6H13N·2H2O, was prepared by the reaction of a Wittig reagent and 2-formylbenzenesulfonic acid. The main molecule lies about an inversion centre at the...
4-{[(5-Methyl-2-furyl)methylene]hydrazinocarbonyl}pyridinium chloride monohydrate (2009)
Li-Min Li, Fang-Fang Jian, Li Liu
The title compound, C12H12N3O2+·Cl−·H2O, was prepared by the reaction of N′-[(5-methyl-2-furyl)methylene]isonicotinohydrazide and hydrochloric acid at room temperature. The...
3-[(5-Methylfuran-2-yl)methylene]-1,5-dioxaspiro[5.5]undecane-2,4-dione (2009)
Wu-Lan Zeng, Hua-Xiang Zhang, Fang-Fang Jian
There are two crystallographically independent molecules in the asymmetric unit of the title compound, C15H16O5. In each, the 1,3-dioxane ring is in an envelope conformation with the C atom common to...
2-(1H-Benzotriazol-1-yl)-1-(2-fluorobenzoyl)ethyl 4-methylbenzoate (2009)
In the crystal structure of the title compound, C23H18FN3O3, intermolecular C—H...N hydrogen bonds link the molecules into chains extended along the c axis. The packing is further stabilized by...
Tetrapyridinebis(trichloroacetato)nickel(II) (2009)
Li-Min Li, Fang-Fang Jian, Xiao-Yan Ren
The title compound, [Ni(C2Cl3O2)2(C5H5N)4], was prepared by the reaction of pyridine and trichloroacetatonickel(II) in ethanol solution at room temperature. The NiII atom is located on a twofold...
2-(1H-Benzotriazol-1-yl)-1-(4-ethylbenzoyl)ethyl 2-chlorobenzoate (2009)
In the crystal structure of the title compound, C24H20ClN3O3, weak intermolecular C—H...O hydrogen bonds link the molecules into chains extended along the a axis. The crystal studied was found...
Aquatris(1H-benzimidazole-κN3)(dichloroacetato-κO)copper(II) dichloroacetate dihydrate (2009)
The title compound, [Cu(C2HCl2O2)(C7H6N2)3(H2O)]C2HCl2O2·2H2O, was prepared by reaction of copper(II) 2,2-dichloroacetic acid and benzimidazole in ethanol solution. The compound shows a regular...
(Z)-3-(3-Phenylallylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione (2009)
Wu-Lan Zeng, Hua-Xiang Zhang, Fang-Fang Jian
In the title compound, C18H18O4, the 1,3-dioxane ring adopts a distorted envelope conformation with the C atom common to the cyclohexane ring forming the flap. In the crystal, inversion dimers linked...
5-(2-Fluorobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (2009)
The title compound, C13H11FO4, was prepared by the reaction of 2,2-dimethyl-1,3-dioxane-4,6-dione and 2-fluorobenzaldehyde in ethanol. In the crystal structure, molecules are linked into chains by...
Bis(hexamethylenetetramine)bis(trichloroacetato)copper(II) (2009)
Li-Min Li, Fang-Fang Jian, Yu-Feng Li
In the title compound, [Cu(C2Cl3O2)2(C6H12N4)2], the CuII ion (site symmetry 2) is coordinated by two trichloroacetate anions and two hexamethylenetetramine molecules, resulting in a distorted CuN2O2...
2-Amino-4,6-dimethylpyrimidinium dihydrogenphosphate (2009)
Cui-Hua Lin, Nai-Sheng Liu, Fang-Fang Jian
In the crystal structure of the title compound, C6H10N3+·H2PO4−, the cations and anions are linked by intermolecular O—H...O and N—H...O hydrogen bonds, forming a...
(Z)-4-Amino-1,2,5-oxadiazole-3-carboxamide oxime (2009)
The asymmetric unit of the title compound, C3H5N5O2, contains three crystallograpically independent molecules. In the crystal structure, intermolecular N—H...N, N—H...O, O—H...N and...
2-Amino-4,6-dimethylpyrimidinium chloroacetate (2009)
Cui-Hua Lin, Nai-Sheng Liu, Fang-Fang Jian
There are two cations and two anions in the asymmetric unit of the title compound, C6H10N3+·C2H2ClO2−. In the crystal, the components are linked by intermolecular N—H...O and...
Ethyl 3-(2,4-dichlorobenzylidene)carbazate (2009)
Yu-Feng Li, Hai-Xing Liu, Fang-Fang Jian
The title compound, C10H10Cl2N2O2, was prepared by the reaction of ethyl carbazate and 2,4-dichlorobenzaldehyde. In the crystal structure, molecules are linked by intermolecular N—H...O...
Ethyl 3-(3-ethoxy-2-hydroxybenzylidene)carbazate (2009)
Yu-Feng Li, Hai-Xing Liu, Fang-Fang Jian
In the title compound, C12H16N2O4, an intramolecular O—H...O hydrogen bond occurs. In the crystal, molecules are linked by N—H...O hydrogen bonds, forming chains propagating in the [010]...
Ethyl 3-[1-(2-hydroxyphenyl)ethylidene]carbazate (2009)
Yu-Feng Li, Hai-Xing Liu, Fang-Fang Jian
The title compound, C11H14N2O3, was prepared by the reaction of ethyl carbazate and 1-(2-hydroxyphenyl)ethanone. In the crystal structure, molecules are linked by intermolecular N—H...O...
Ethyl 3-[1-(4-bromophenyl)ethylidene]carbazate (2009)
Yu-Feng Li, Hai-Xing Liu, Fang-Fang Jian
In the crystal of the title compound, C10H11BrN2O2, the molecules are linked by N—H...O hydrogen bonds, forming S(4) chains propagating in [100]. A C—H...O interaction also occurs.
Methyl 3-(3-pyridylmethylene)carbazate (2009)
Yu-Feng Li, Hai-Xing Liu, Fang-Fang Jian
In the crystal of the title compound, C8H9N3O2, molecules are linked by N—H...N hydrogen bonds, forming S(7) chains propagating in [010].
(1R,1′S)-1,1′-Dihydroxy-1,1′-biisobenzofuran-3,3′(1H,1′H)-dione (2009)
Fang-Fang Jian, Shan-Shan Zhao, Huan-Mei Guo, Yu-Feng Li, Pu-Su Zhao
In the title compound, C16H10O6, the complete molecule is generated by a crystallographic centre of symmetry. In the crystal, O—H...O hydrogen bonds link the molecules into (100) sheets and...
Methyl 3-benzylidenecarbazate (2009)
Yu-Feng Li, Hai-Xing Liu, Fang-Fang Jian
In the crystal of the title compound, C9H10N2O2, the molecules are linked by N—H...O hydrogen bonds, generating S(4) chains propagating in [010].
6-Oxobenz[de]isoquinolino[2,1-a]benzimidazolium chloride monohydrate (2008)
Fang-Fang Jian, Li Du, Jing Wang
The title compound, C18H11N2O+·Cl−·H2O, was prepared by the reaction of 1,8-naphthalic anhydride with o-phenylenediamine in DMF. The dihedral angle formed by the phenyl and naphthalic...
Ethyl (E)-3-anilino-2-cyano-3-mercaptoacrylate (2008)
Yong-Qi Qin, Fang-Fang Jian, Ming-Na Jiang, Xiao-Yan Ren
In the title compound, C12H12N2O2S, there are S—H...N and N—H...O hydrogen-bond interactions. The N—H...O hydrogen bond is bifurcated, with the hydrogen being simultaneously donated...
2,3-Bis(4-bromophenyl)quinoxaline (2008)
Fang-Fang Jian, Ke-Fei Wang, Rui-Rui Zhuang, Hai-Lian Xiao
The title compound, C20H12Br2N2, was prepared by the reaction of 1-(3-bromophenyl)-2-(4-bromophenyl)ethane-1,2-dione with o-phenylenediamine in refluxing ethanol. In the molecule, all bond lengths...
(6E)-N-[(4Z)-2,5-Dimethyl-4-(p-tolylimino)cyclohexa-2,5-dienylidene]-4-methylaniline (2008)
Fang-Fang Jian, Rui-Rui Zhuang, Ke-Fei Wang, Jing Wang
The title compound, C22H22N2, was prepared by the reaction of 4-aminotoluene with sodium carbonate, sodium hydroxide and potassium permanganate. The molecule is disposed about a crystallographic...
1,2-Di-2-furylethane-1,2-dione (2008)
Fang-Fang Jian, Ke-Fei Wang, Rui-Rui Zhuang
The title compound, C10H6O4, lies across a twofold rotation axis through the midpoint of the C—C bond between the two carbonyl groups. The furan ring plane and the plane through all atoms are...
N-(4-Aminophenyl)-1,8-naphthalimide hemihydrate (2008)
Fang-Fang Jian, Li-Ming Wang, Li Du, Jing Wang
The title compound, C18H12N2O2·0.5H2O, was prepared by the reaction of 1,4-phenylenediamine with 1,8-naphthalic anhydride in refluxing dimethylformamide. The structure is stabilized by...
3-(2-Pyridyl)-N-p-tolylindolizin-1-amine (2008)
Fang-Fang Jian, Ming-Na Jiang, Xiao-Yan Ren, Li-Hua Huang
In the title compound, C20H17N3, there are four molecules in the asymmetric unit. The dihedral angles between the indolizine ring system and the pyridyl ring are 6.6 (2), 7.4 (1),...
Huan-Mei Guo, Lin-Tong Wang, Jing Zhang, Pu-Su Zhao, Fang-Fang Jian
1-Acetyl-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-pyrazoline has been synthesized and characterized by elemental analysis, IR and X-ray single crystal diffraction. Density functional (DFT)...
2,6-Bis(2,4-dichlorobenzylidene)cyclohexanone (2008)
Huan-Mei Guo, Li Liu, Fang-Fang Jian
The title compound, C20H14Cl4O, was prepared from a mixture of 2,4-dichlorobenzophenone and cyclohexanone. The dihedral angles formed by the cyclohexane ring and two benzene rings are 39.18 (2)...
1-[1-(4-Nitrophenyl)ethylidene]thiosemicarbazide (2008)
Jian-Gang Wang, Fang-Fang Jian, Yu-Feng Ding
The title compound, C9H10N4O2S, was prepared by the reaction of 1-(4-nitrophenyl)ethanone and thiosemicarbazide in ethanol at 367 K. There are weak intermolecular N—H...S and...
N-[(3,5-Dimethylpyrazol-1-yl)methyl]phthalimide (2008)
Su-Qing Wang, Fang-Fang Jian, Huan-Qiang Liu
The title compound {systematic name: 2-[(3,5-dimenthylpyrazol-1-yl)methyl]isoindole-1,3-dione}, C14H13N3O2, was prepared by reaction of N-(bromomethyl)phthalimide and 3,5-dimethylpyrazole in...
N-Phenylpiperidine-1-carbothioamide (2008)
The title compound, C12H16N2S, was prepared by the reaction of with phenyl isothiocyanate and piperidine. In the crystal structure, the molecule exhibits intermolecular N—H...S hydrogen bonds...
N2,N2,N4,N4,N6,N6-Hexapropyl-1,3,5-triazine-2,4,6-triamine (2008)
The title compound, C21H42N6, was prepared by the reaction of 2,4,6-trichloro-1,3,5-triazine with dipropylamine. The structure of the molecule is tripodal.
N-(Imidazol-1-ylmethyl)phthalimide (2008)
Su-Qing Wang, Fang-Fang Jian, Huan-Qiang Liu
The title compound [systematic name: 2-(imidazol-1-ylmethyl)isoindole-1,3-dione], C12H9N3O2, was prepared by reaction of N-(bromomethyl)phthalimide and imidazole in chloroform solution. The crystal...
N-(1H-1,2,3-Benzotriazol-1-ylmethyl)phthalimide (2008)
Su-Qing Wang, Fang-Fang Jian, Huan-Qiang Liu
The title compound [systematic name: 2-(1H-1,2,3-benzotriazol-1-ylmethyl)isoindole-1,3-dione], C15H10N4O2, was prepared by the reaction of 1H-benzotriazole and 2-bromomethylisoindole-1,3-dione. The...
4-(4-Amino-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)pyridinium chloride (2008)
The crystal structure of the title compound, C7H8N5S+·Cl−, is stabilized by intermolecular N—H...Cl and N—H...S hydrogen-bond interactions.
N-(4-Chlorobenzylidene)-4-methoxyaniline (2008)
Xiao-Yan Ren, Yu-Feng Ding, Fang-Fang Jian
The title compound, C14H12ClNO, was prepared by the reaction of 4-methoxyaniline and 4-chlorobenzaldehyde in ethanol at 367 K. The molecule is almost planar, with a dihedral angle between the...
2-[(3-Bromophenyl)iminomethyl]phenol (2008)
The title compound, C13H10BrNO, was prepared by reaction of 3-bromoaniline with 2-hydroxybenzaldehyde at 377 K. The molecular structure and packing are stabilized by an intramolecular...
3-(5-Methyl-2-furyl)-1-(p-tolyl)-2-propen-1-one (2008)
Huan-Mei Guo, Xian-Bing Wang, Fang-Fang Jian
The title compound, C15H14O2, was prepared from 4-methylhypnone and 5-methylfurfural by Clasion–Schmidt condensation. All of the bond lengths and bond angles are in normal ranges. The dihedral...
4-Methoxy-N-(2-nitrobenzylidene)aniline (2008)
The title compound, C14H12N2O3, was prepared by reaction of 2-nitrobenzaldehyde with 4-methoxybenzenamine at 377 K. The molecule has an E configuration, with a dihedral angle between the two...
3,9-Di-2-furyl-2,4,8,10-tetraoxaspiro[5.5]undecane (2008)
The title compound, C15H16O6, was prepared by reaction of 2,2-bis(hydroxymethyl)propane-1,3-diol with 2-furaldehyde in the presence of hydrochloric acid at room temperature. The asymmetric unit...
6,6′-Dibromo-2,2′-dihexyloxy-1,1′-binaphthalene (2008)
Yu-Feng Li, Lin-Tong Wang, Fang-Fang Jian
The title compound, C32H36Br2O2, was prepared by the reaction of 6-bromo-1-(2-bromo-6-hydroxynaphthalen-5-yl)naphthalen-2-ol and 1-iodohexane. The dihedral angle between the naphthalene ring planes...
(E)-Ethyl 2-cyano-2-(thiazolidin-2-ylidene)acetate (2008)
Jian-Gang Wang, Fang-Fang Jian
The title compound, C8H10N2O2S, was prepared by the reaction of 2-cyano-3,3-bis(methylsulfanyl)acrylate and 2-aminoethanethiol at 350 K. The molecular structure and packing are stabilized by...
Tetrakis(3,5-dimethyl-1H-pyrazole-κN2)(nitrato-κ2O,O′)cadmium(II) nitrate (2008)
The title compound, [Cd(NO3)(C5H8N2)4]NO3, was prepared by reaction of cadmium nitrate and 3,5-dimethylpyrazole in ethanol solution. The Cd atom adopts a distorted cis-CdO2N4 octahedral geometry...
N′-(4-Bromobenzylidene)isonicotinohydrazide (2008)
The title compound, C13H10BrN3O, was prepared by the reaction of isonicotinohydrazide and 4-bromobenzaldehyde. The dihedral angle between the benzene and pyridine rings is 8.60 (12)°. The...
N-[(Z)-3-(4-Chlorobenzoyl)-1,3-thiazolidin-2-ylidene]cyanamide (2008)
Jian-Gang Wang, Li-Hua Huang, Fang-Fang Jian
The title compound, C11H8ClN3OS, was prepared by the reaction of N-cyanoiminothiazolidine, 2-aminoethanethiol and triethylamine at 350 K. The dihedral angle between the two rings is...
N′-[(5-Methylfuran-2-yl)methylene]isonicotinohydrazide (2008)
The title compound, C12H11N3O2, was prepared by the reaction of isonicotinohydrazide and 5-methylfuran-2-carbaldehyde. The pyridine ring makes a dihedral angle of 46.90 (9)° with the mean...
N′-[1-(4-Methoxyphenyl)ethylidene]acetohydrazide (2008)
The title compound, C11H14N2O2, was prepared by the reaction of acetohydrazide and 1-(4-methoxyphenyl)ethanone. In the molecule, all bond lengths and angles are within normal ranges. In the crystal...
5-tert-Butyl-2-[5-(5-tert-butyl-1,3-benzoxazol-2-yl)-2-thienyl]-1,3-benzoxazole (2008)
Yu-Feng Li, Lin-Tong Wang, Fang-Fang Jian
The title compound, C26H26N2O2S, was prepared by the reaction of thiophene-2,5-dicarboxylic acid and 2-amino-4-tert-butylphenol. One of the tert-butyl groups is disordered over two conformations,...