1-(2-Hydroxyphenyl)octan-1-one

2006 ◽  
Vol 62 (5) ◽  
pp. o1793-o1794
Author(s):  
Xu Bin ◽  
Jin-Xiu Ji ◽  
Zhi-Qiang Fen ◽  
Jin-Tang Wang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Compound C ◽  
Octanoyl Chloride

The title compound, C14H20O2, was synthesized by the reaction of phenol and octanoyl chloride. All non-H atoms are coplanar, with an r.m.s. deviation of 0.031 Å. In the crystal structure, molecules are linked into chains along the a axis by intermolecular C—H...O hydrogen bonds.

scholarly journals N-(5-Chloro-1,3-thiazol-2-yl)-2,4-difluorobenzamide

2012 ◽  
Vol 68 (6) ◽  
pp. o1857-o1857 ◽  
Author(s):  
Xi-Wang Liu ◽  
Jian-Yong Li ◽  
Han Zhang ◽  
Ya-Jun Yang ◽  
Ji-Yu Zhang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Benzoyl Chloride ◽  
Bond Lengths ◽  
Compound C

The title compound, C10H5ClF2N2OS, was obtained by linking an amino heterocycle and a substituted benzoyl chloride. The dihedral angle between the two rings is 41.2 (2)° and the equalization of the amide C—N bond lengths reveals the existence of conjugation between the benzene ring and the thiazole unit. In the crystal, pairs of N—H...N hydrogen bonds link molecules into inversion dimers. Non-classical C—H...F and C—H...O hydrogen bonds stabilize the crystal structure.

scholarly journals Powder study of 3-azabicyclo[3.3.1]nonane-2,4-dione form 2

2006 ◽  
Vol 62 (7) ◽  
pp. o3046-o3048 ◽  
Author(s):  
Ashley T Hulme ◽  
Philippe Fernandes ◽  
Alastair Florence ◽  
Andrea Johnston ◽  
Kenneth Shankland
Keyword(s):  
Crystal Structure ◽  
Simulated Annealing ◽  
Hydrogen Bonds ◽  
Powder Diffraction ◽  
Title Compound ◽  
Variable Temperature ◽  
Polycrystalline Sample ◽  
Asymmetric Unit ◽  
X Ray ◽  
Compound C

A polycrystalline sample of a new polymorph of the title compound, C8H11NO2, was produced during a variable-temperature X-ray powder diffraction study. The crystal structure was solved at 1.67 Å resolution by simulated annealing from laboratory powder data collected at 250 K. Subsequent Rietveld refinement yielded an R wp of 0.070 to 1.54 Å resolution. The structure contains two molecules in the asymmetric unit, which form a C 2 2(8) chain motif via N—H...O hydrogen bonds.

scholarly journals Crystal structure of diisopropylaminium dichloroacetate

2015 ◽  
Vol 71 (5) ◽  
pp. o361-o361
Author(s):  
Wei Sun ◽  
Guangzhi Shan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Compound C

In the title compound, C6H16N+·C2HCl2O2−, the cation exhibits non-crystallographicC2symmetry. In the crystal, the components are linked by N—H...O and C—H...O hydrogen bonds into chains propagating along [010].

scholarly journals Crystal structure of 5,10,15-triphenyl-20-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)porphyrin

2014 ◽  
Vol 70 (10) ◽  
pp. o1085-o1086
Author(s):  
Mathias O. Senge ◽  
Hans-Georg Eckhardt
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Central Region ◽  
Title Compound ◽  
Ring System ◽  
Compound C ◽  
Porphyrin Macrocycle ◽  
Phenyl Rings ◽  
Supramolecular Chains

In the title compound, C44H37BN4O2, the dihedral angle between the plane of the porphyrin macrocycle ring system [r.m.s. deviation = 0.159 (1) Å] and those of three phenyl rings are 66.11 (4), 74.75 (4) and 57.00 (4)°. The conformational distortion is characterized by a mixture of ruffled, saddle and in-plane distortion modes. In the crystal, the porphyrin molecules are linked by C—H...π interactions into supramolecular chains running along thea-axis direction. A pair of bifurcated N—H...(N,N) hydrogen bonds occur across the central region of the macrocycle.

scholarly journals 2,6-Bis(4-methoxybenzylidene)cyclohexanone

2006 ◽  
Vol 62 (5) ◽  
pp. o1910-o1912 ◽  
Author(s):  
Ray J. Butcher ◽  
H. S. Yathirajan ◽  
B. K. Sarojini ◽  
B. Narayana ◽  
J. Indira
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Photon Absorption ◽  
Intermolecular Hydrogen Bonds ◽  
Two Photon Absorption ◽  
Two Photon ◽  
Compound C ◽  
Centrosymmetric Dimers

The title compound, C22H22O3, demonstrates a two-photon absorption. Its metrical parameters are similar to those of related cyclohexanone derivatives. In the crystal structure, two sets of centrosymmetric dimers formed by weak C—H...O intermolecular hydrogen bonds combine to form molecular tapes along [101].

6,9-Dibromo-2a,10b-diphenyl-2a,5,10,10b-tetrahydro-2H,3H-2,3,4a,10a-tetraazabenzo[g]cyclopenta[cd]azulene-1,4-dione monohydrate

2006 ◽  
Vol 62 (5) ◽  
pp. o1754-o1755
Author(s):  
Neng-Fang She ◽  
Sheng-Li Hu ◽  
Hui-Zhen Guo ◽  
An-Xin Wu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Supramolecular Structure ◽  
Hydrogen Bond Donor ◽  
Hydrogen Bond Acceptor ◽  
Compound C ◽  
Bifurcated Hydrogen Bond

The title compound, C24H18Br2N4O2·H2O, forms a supramolecular structure via N—H...O, O—H...O and C—H...O hydrogen bonds. In the crystal structure, the water molecule serves as a bifurcated hydrogen-bond acceptor and as a hydrogen-bond donor.

scholarly journals Crystal structure of 2-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide

2014 ◽  
Vol 70 (12) ◽  
pp. o1252-o1252 ◽  
Author(s):  
Rodolfo Moreno-Fuquen ◽  
Diego F. Sánchez ◽  
Javier Ellena
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Two Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings ◽  
The Mean ◽  
Amide Fragment

In the title compound, C10H6N4O5S, the mean plane of the non-H atoms of the central amide fragment C—N—C(=O)—C [r.m.s. deviation = 0.0294 Å] forms dihedral angles of 12.48 (7) and 46.66 (9)° with the planes of the thiazole and benzene rings, respectively. In the crystal, molecules are linked by N—H...O hydrogen bonds, forming chains along [001]. In addition, weak C—H...O hydrogen bonds link these chains, forming a two-dimensional network, containingR44(28) ring motifs parallel to (100).

scholarly journals N′-Cyclododecylidenepyridine-4-carbohydrazide

2012 ◽  
Vol 68 (4) ◽  
pp. o1205-o1205
Author(s):  
Andreas Lemmerer ◽  
Joel Bernstein ◽  
Volker Kahlenberg
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Functional Groups ◽  
Title Compound ◽  
Antituberculosis Drug ◽  
Compound C

The title compound, C18H27N3O, is a derivative of the antituberculosis drug isoniazid (systematic name: pyridine-4-carbohydrazidei). The crystal structure consists of repeatingC(4) chains along thebaxis, formed by N—H...O hydrogen bonds with adjacent amide functional groups that are related by ab-glide plane. The cyclododecyl ring has the same approximately `square' conformation, as seen in the parent hydrocarbon cyclododecane.

2-Ammonio-3-carboxy-5-nitrobenzoate monohydrate

2007 ◽  
Vol 63 (11) ◽  
pp. o4267-o4267 ◽  
Author(s):  
T. Liu ◽  
J. Y. Zhu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Network Structure ◽  
Title Compound ◽  
Supramolecular Network ◽  
Compound C

In the crystal structure of the title compound, C8H6N2O6·H2O, intramolecular N—H...O and intermolecular O—H...O, O—H...N, N—H...N and N—H...O hydrogen bonds result in the formation of a supramolecular network structure.

scholarly journals Crystal structure of 5-[(4-carboxybenzyl)oxy]isophthalic acid

2016 ◽  
Vol 72 (8) ◽  
pp. 1219-1222
Author(s):  
Md. Serajul Haque Faizi ◽  
Musheer Ahmad ◽  
Akram Ali ◽  
Vadim A. Potaskalov
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Molecular Shape ◽  
Isophthalic Acid ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings

The molecular shape of the title compound, C16H12O7, is bent around the central CH2—O bond. The two benzene rings are almost perpendicular to one another, making a dihedral angle of 87.78 (7)°. In the crystal, each molecule is linked to three others by three pairs of O—H...O hydrogen bonds, forming undulating sheets parallel to thebcplane and enclosingR22(8) ring motifs. The sheets are linked by C—H...O hydrogen bonds and C—H...π interactions, forming a three-dimensional network.

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