2,7-Diacetylxanthene

2006 ◽  
Vol 62 (5) ◽  
pp. o1770-o1771 ◽  
Author(s):  
Li Wu ◽  
Ai-Lin Liu ◽  
Yang Lu ◽  
Guan-Hua Du
Keyword(s):  
Crystal Structure ◽  
Carbon Atom ◽  
Title Compound ◽  
Mirror Plane ◽  
Asymmetric Unit ◽  
Compound C

In the crystal structure of the title compound, C17H14O3, the asymmetric unit comprises one half-molecule; a mirror plane passes through the pyran O atom and the para-carbon atom.

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.

2,4,6-Trimethylpyridine-3,5-dicarbonitrile

2006 ◽  
Vol 62 (7) ◽  
pp. o2765-o2767
Author(s):  
Hong-Li Wang ◽  
Bin Zhang ◽  
Yi Dai
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C ◽  
Hydrogen Bonding Interactions

The title compound, C10H9N3, is essently planar, except for the methyl H atoms. The asymmetric unit consists of two molecules. In the crystal structure, weak intramolecular C—H...N hydrogen-bonding interactions occur, linking the molecules into chains propagating along the a axis.

3-n-Butyl-2-methoxy-1-benzothieno[3,2-d]pyrimidin-4(3H)-one

2006 ◽  
Vol 62 (4) ◽  
pp. o1319-o1320 ◽  
Author(s):  
Min-Hui Cao ◽  
Sheng-Zhen Xu ◽  
Yang-Gen Hu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Title Compound ◽  
Thiophene Ring ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Independent Molecules

The title compound, C15H16N2O2S, contains a five-membered thiophene ring fused to a benzene ring and a substituted pyrimidinone ring. All three rings in each of the independent molecules of the asymmetric unit lie in approximately the same plane. The crystal structure is stabilized by intermolecular C—H...O hydrogen bonding and π–π stacking interactions.

scholarly journals Crystal structure of tetraethyl 27,30-dioxo-7,12,20,25-tetra-tert-butyl-3,16-dioxa-9,22,28,31-tetrathiaheptacyclo[21.3.1.11,5.14,8.110,14.114,18.117,21]dotriaconta-4,6,8(29),10,12,17,19,21(32),23,25-decaene-2,2,15,15-tetracarboxylate

2015 ◽  
Vol 71 (10) ◽  
pp. o778-o779
Author(s):  
Mehmet Akkurt ◽  
Jerry P. Jasinski ◽  
Shaaban K. Mohamed ◽  
Omran A. Omran ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Membered Ring ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Tert Butyl ◽  
Envelope Conformation ◽  
Compound C ◽  
A Chain

The asymmetric unit of the title compound, C54H64O12S4, consists of one half of the molecule, which is located on an inversion centre. The heterocyclic six-membered ring adopts a distorted envelope conformation with the spiro C atom as the flap. In the crystal, molecules are linked by weak C—H...O hydrogen bonds with anR22(14) motif, forming a chain along theb-axis direction.

scholarly journals Crystal structure of 3-amino-5,5-dimethyl-2-[(E)-2-nitroethenyl]cyclohex-2-en-1-one

2014 ◽  
Vol 70 (11) ◽  
pp. 379-381
Author(s):  
Brigita Vigante ◽  
Dmitrijs Stepanovs ◽  
Andrejs Pelss ◽  
Anatoly Mishnev
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean ◽  
Independent Molecules

The asymmetric unit of the title compound, C10H14N2O3, contains two independent molecules with similar conformations. In the both molecules, the cyclohexene rings adopt the same envelope conformation with the flap C atoms lying 0.658 (3) and 0.668 (3) Å from the mean planes formed by the remaining atoms. In the crystal, adjacent molecules are connectedviaN—H...O hydrogen bonds and weak C—H...O interactions, forming supramolecular layers parallel to (-101).

3-Ethylpentan-3-ol

2006 ◽  
Vol 62 (5) ◽  
pp. o2064-o2065 ◽  
Author(s):  
Andrew D. Bond
Keyword(s):  
Crystal Structure ◽  
Crystal Growth ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules

The crystal structure of the title compound, C7H16O, has been determined at 150 (2) K following in situ crystal growth from the liquid. The structure contains four independent molecules in the asymmetric unit, forming a fourfold cyclic arrangement via O—H...O hydrogen bonds.

Bis(piperidinium) bis(1,2-dicyanoethene-1,2-dithiolato-κ2 S,S′)nickel(II)

2007 ◽  
Vol 63 (11) ◽  
pp. m2802-m2802 ◽  
Author(s):  
Yong Hou ◽  
Hongrong Zuo ◽  
Qian Huang ◽  
Chunlin Ni
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Coordination Geometry ◽  
Asymmetric Unit ◽  
Compound C ◽  
Square Planar

The title compound, (C5H12N)2[Ni(C4N2S2)2], is a new [Ni(mnt)2]2− salt (mnt2− is 1,2-dicyanoethene-1,2-dithiolate) with piperidinium [(PIH)+] cations. The NiII ion lies on an inversion centre and the asymmetric unit contains a (PIH)+ cation and one half of the [Ni(mnt)2]2− anion. The NiII ion exhibits a square-planar coordination geometry. In the crystal structure, weak C—H...N, C—H...S and C—H...Ni hydrogen bonds are observed between the anions and the cations.

scholarly journals 2-Chloro-N-(2,4-dichlorophenyl)acetamide

2009 ◽  
Vol 65 (6) ◽  
pp. o1367-o1367
Author(s):  
B. Thimme Gowda ◽  
Sabine Foro ◽  
Hiromitsu Terao ◽  
Hartmut Fuess
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Independent Molecule ◽  
Asymmetric Unit ◽  
Compound C ◽  
Supramolecular Chains

The structure of the title compound, C8H6Cl3NO, contains two molecules in the asymmetric unit. In each independent molecule, the conformation of the N—H bond is almostsynto theortho-chloro substituent and the conformation of the C=O bond isantito the N—H bond. The molecules in the crystal structure are linked into supramolecular chains through N—H...O hydrogen bonding along theaaxis.

scholarly journals 6-(Hex-5-enyloxy)naphthalene-2-carboxylic acid

2014 ◽  
Vol 70 (6) ◽  
pp. o696-o697
Author(s):  
Md. Lutfor Rahman ◽  
H. T. Srinivasa ◽  
Mashitah Mohd. Yusoff ◽  
Huey Chong Kwong ◽  
Ching Kheng Quah
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Carbonyl Groups ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules

The asymmetric unit of the title compound, C17H18O3, comprises three independent molecules with similar geometries. In each molecule, the carbonyl group is twisted away from the napthalene ring system, making dihedral angles of 1.0 (2), 1.05 (19)° and 1.5 (2)°. The butene group in all three molecules are disordered over two sets of sites, with a refined occupancy ratio of 0.664 (6):0.336 (6). In the crystal, molecules are oriented with respect to their carbonyl groups, forming head-to-head dimersviaO—H...O hydrogen bonds. Adjacent dimers are further interconnected by C—H...O hydrogen bonds into chains along thea-axis direction. The crystal structure is further stabilized by weak C—H...π interactions.

Quinidine sesquihydrate

2007 ◽  
Vol 63 (3) ◽  
pp. o1483-o1484
Author(s):  
Min-Jie Guo ◽  
Shu-Juan Zhang ◽  
Dong-Lan Sun ◽  
Zhi Fan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Compound C

In the asymmetric unit of the title compound, C20H24N2O2·1.5H2O, there are two independent quinidine [systematic name: (1S,3R,4S,8R,9S)-4-[hydroxy(5-vinyl-1-azabicyclo[2.2.2]oct-2-yl)methyl]-6-methoxyquinoline] molecules and three water molecules. Intermolecular O—H...O and O—H...N hydrogen bonds stabilize the crystal structure.

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