scholarly journals Methyl 4-amino-2-chloropyrimidine-5-carboxylate

2014 ◽  
Vol 70 (8) ◽  
pp. o869-o869
Author(s):  
Ya-Ming Wu
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Carbonyl Group ◽  
Title Compound ◽  
Maximum Deviation ◽  
Amino Group ◽  
Compound C ◽  
Supramolecular Chains

In the title compound, C6H6ClN3O2, all non-H atoms are approximately coplanar [maximum deviation = 0.012 (4) Å]; an intramolecular N—H...O hydrogen bond occurs between the amino group and the carbonyl group. In the crystal, molecules are linked by N—H...N hydrogen bonds into supramolecular chains propagated along [101].

scholarly journals (4Z)-4-[(2-Chloroanilino)(phenyl)methylidene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one

2012 ◽  
Vol 68 (6) ◽  
pp. o1843-o1843
Author(s):  
Li-Ying Xu ◽  
Ning Li ◽  
Jia-Min Li ◽  
Heng-Qiang Zhang ◽  
Zhen-Hai Sun
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Membered Ring ◽  
Dihedral Angles ◽  
Amino Group ◽  
Keto Form ◽  
Compound C ◽  
Phenyl Rings ◽  
Supramolecular Chains

The title compound, C23H18ClN3O, exists in an enamine–keto form with the amino group involved in an intramolecular N—H...O hydrogen bond. The five-membered ring is nearly planar, the largest deviation being 0.0004 (7) Å, and makes dihedral angles of 16.62 (6), 41.89 (5) and 71.27 (4)° with the phenyl rings. In the crystal, weak C—H...O hydrogen bonds link the molecules into supramolecular chains along the b axis.

scholarly journals 5-[(2-Hydroxyethyl)(methyl)amino]thiophene-2-carbaldehyde

2014 ◽  
Vol 70 (6) ◽  
pp. o724-o724
Author(s):  
Xian-Shun Sun ◽  
Nan-Qi Shao ◽  
Dan-Dan Li
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Thiophene Ring ◽  
Aldehyde Group ◽  
Maximum Deviation ◽  
Axis Direction ◽  
Compound C ◽  
Supramolecular Chains

In the title compound, C8H11NO2S, the aldehyde group is approximately coplanar with the thiophene ring [maximum deviation = 0.023 (2) Å]. In the crystal, molecules are linked by O—H...O hydrogen bonds into supramolecular chains propagating along thea-axis direction.

scholarly journals Crystal structure of (Z)-7,8-dichloro-4-(2-oxopropylidene)-4,5-dihydro-1H-1,5-benzodiazepin-2(3H)-one

2015 ◽  
Vol 71 (12) ◽  
pp. o1059-o1060
Author(s):  
Sanae Lahmidi ◽  
Abdelhanine Essaghouani ◽  
El Mokhtar Essassi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Chair Conformation ◽  
Compound C ◽  
The Mean ◽  
Membered Heterocycle ◽  
Supramolecular Chains

In the title compound, C12H10Cl2N2O2, the seven-membered heterocycle displays a half-chair conformation. The mean plane through the oxopropylidene group makes a dihedral angle of 36.44 (9)° with the fused benzene ring. An intramolecular N—H...O hydrogen bond to close anS(6) loop is noted. An important feature of the molecular packing are N—H...O hydrogen bonds that lead to the formation of helical supramolecular chains along thebaxis.

scholarly journals 3-Acetyl-1-(3-methylphenyl)thiourea

2012 ◽  
Vol 68 (8) ◽  
pp. o2574-o2574 ◽  
Author(s):  
B. Thimme Gowda ◽  
Sabine Foro ◽  
Sharatha Kumar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Side Chain ◽  
Maximum Deviation ◽  
Methyl Groups ◽  
Compound C ◽  
Ring Motif

In the crystal structure of the title compound, C10H12N2OS, the conformation of the two N—H bonds areantito each other. The amide C=O and the C=S are are alsoantito each other. The N—H bond adjacent to the benzene ring issynto them-methyl groups. The dihedral angle between the benzene ring and the side chain [mean plane of atoms C—C(O)N—C—N; maximum deviation 0.029 (2) Å] is 14.30 (7)°. There is an intramolecular N—H...O hydrogen bond generating anS(6) ring motif. In the crystal, the molecules are linkedviaN—H...) hydrogen bonds, forming chains propagating along [001]. The S atom is disordered and was refined using a split model [occupancy ratio 0.56 (4):0.44 (4)].

scholarly journals Crystal structure of 1-[(Z)-2-phenylhydrazin-1-ylidene]naphthalen-2(1H)-one

2015 ◽  
Vol 71 (5) ◽  
pp. o303-o303
Author(s):  
Ali Benosmane ◽  
Mohamed Amine Benaouida ◽  
Assia Mili ◽  
Abdelkader Bouchoul ◽  
Hocine Merazig
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Carbonyl Group ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Imino Group ◽  
Compound C ◽  
Supramolecular Chains

In the title compound, C16H12N2O, the dihedral angle between the planes of the benzene ring and naphthalenone ring system is 1.89 (8)°; an intramolecular N—H...O hydrogen bond occurs between the imino group and the carbonyl group. In the crystal, molecules are linked by weak C—H...π interactions into supramolecular chains propagating along the [01-1] direction.

scholarly journals Crystal structure of (Z)-3-benzyloxy-6-[(2-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one

2014 ◽  
Vol 70 (12) ◽  
pp. o1292-o1292 ◽  
Author(s):  
Nadir Ghichi ◽  
Ali Benboudiaf ◽  
Hocine Merazig
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Maximum Deviation ◽  
Amino Group ◽  
Supramolecular Architecture ◽  
Bond Forming ◽  
Compound C ◽  
Ring Motif

In the title compound, C20H17NO3, the methylidenecyclohexa-2,4-dienone moiety is approximately planar [maximum deviation = 0.0615 (10) Å] and is oriented at diherdral angles of 69.60 (7) and 1.69 (9)° to the phenyl and hydroxybenzene rings, respectively. The amino group links with the carbonyl O atomviaan intramolecular N—H...O hydrogen bond, forming anS(6) ring motif. In the crystal, the molecules are linked by O—H...O hydrogen bonds and weak C—H...O and C—H...π interactions, forming a three-dimensional supramolecular architecture.

scholarly journals 2-Bromo-2-methyl-1-[4-(methylsulfanyl)phenyl]propan-1-one

2012 ◽  
Vol 68 (6) ◽  
pp. o1759-o1759
Author(s):  
Fei Liu ◽  
Shi-Ying Ren ◽  
Wei-Ji Yang
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Maximum Deviation ◽  
Compound C ◽  
Planar Conformation ◽  
Ring Motif

In the title compound, C11H13BrOS, the thioether unit and the phenyl ring adopt an essentially planar conformation, with a maximum deviation of 0.063 Å. In the crystal, molecules are linked by C—H...O hydrogen bonds, extending in zigzag chains along the b axis. A weak intramolecular C—H...Br hydrogen bond is also observed, which forms an S(6) ring motif.

scholarly journals 4-[(4-Hydroxymethyl-2H-1,2,3-triazol-2-yl)methyl]-6-isopropyl-2H-chromen-2-one

IUCrData ◽  
2016 ◽  
Vol 1 (12) ◽  
Author(s):  
Nasseem El-Khatatneh ◽  
Chandra ◽  
D. Shamala ◽  
K. Shivashankar ◽  
M. Mahendra
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Site Occupancy ◽  
Maximum Deviation ◽  
Compound C ◽  
Supramolecular Chains ◽  
Chromene Ring

In the title compound, C16H17N3O3, the chromene ring is planar, with a maximum deviation of 0.017 (4) Å for the ring O atom. The triazole and the chromene rings, bridged by a methylene C atom, are inclined to one another by 78.3 (2)°. In the crystal, methylene–triazole C—H...N hydrogen bonds lead to the formation of helical supramolecular chains along thebaxis. The sample was refined as an inversion twin. The terminal methylhydroxy group is disordered over two sets of sites [site occupancy = 0.610 (13) for the major component].

scholarly journals 1,10-Phenanthroline-5,6-dione ethanol monosolvate

2014 ◽  
Vol 70 (5) ◽  
pp. o573-o573 ◽  
Author(s):  
Jing-Wei Dai ◽  
Zhao-Yang Li ◽  
Osamu Sato
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Maximum Deviation ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Supramolecular Chains

In the title compound, C12H6N2O2·C2H5OH, the molecule of the 1,10-phenanthroline-5,6-dione is approximately planar, with a maximum deviation of 0.051 (1) Å. In the crystal, molecules are linked by O—H...N and weak C—H...O hydrogen bonds, forming supramolecular chains propagating along [110]. π–π stacking interactions are observed between the pyridine rings of neighbouring chains, the centroid–centroid separations being 3.6226 (11) and 3.7543 (11) Å.

scholarly journals Crystal structure of (4Z)-4-{[(2-chlorophenyl)amino](furan-2-yl)methylidene}-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

2015 ◽  
Vol 71 (3) ◽  
pp. o177-o178
Author(s):  
Heng-Qiang Zhang ◽  
Xing Yang ◽  
Qiong Wu ◽  
Hong-Li Chen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Maximum Deviation ◽  
Keto Form ◽  
Π Interactions ◽  
Compound C

In the title compound, C21H16ClN3O2, the pyrazolone ring and the O=C—C=C—N mean plane [maximum deviation = 0.022 (2) Å] are nearly coplanar, making a dihedral angle 4.56 (8)°, while the phenyl and pyrazole rings subtend a dihedral angle of 19.75 (8)°. The compound is in the enamine–keto form and its structure is stabilized by an intramolecular N—H...O hydrogen bond. In the crystal, molecules are linkedviaC—H...N hydrogen bonds, forming chains along [010]. Between the chains there are π–π interactions [inter-centroid distances = 3.3902 (9) and 3.5956 (11) Å], linking the chains to form sheets parallel to (10-1).

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