• Title/Summary/Keyword: Hydrogen Bond

검색결과 593건 처리시간 0.032초

The Crystal Structure of Metoclopramide

  • Shin, Whan-chul;Chang, Tai-Sik;Koo, Chung-Hoe
    • Bulletin of the Korean Chemical Society
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    • 제4권3호
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    • pp.123-127
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    • 1983
  • The crystal structure of metoclopramide, $C_14H_22ClN_3O_2$, has been determined by X-ray diffraction techniques using diffractometer data obtained by the ${\omega}-2{\theta}$ scan technique with Mo $K\alpha$ radiation from a crystal with space group symmetry $P{\overline{1}}$ and unit cell parameters a = 7.500(1), b = 8.707(2), c = 13.292(2) ${\AA}$; ${\alpha}$ = 101.70(2), ${\beta}$ = 81.20(2), and ${\gamma}$ = $114.90(l)^{\circ}$. The sructure was solved by direct methods and refined by full-matrix least-squares to a final R = 0.055 for the 1524 observed reflections. The bent overall-conformation of the molecule seems to be determined mainly by the bifurcated intramolecular hydrogen bond from the amide nitrogen atom to the methoxy oxygen and the amine nitrogen atoms. The crystal packing consists of the hydrogen bonds, ${\pi}-{\pi}$ interaction and hydrophobic interaction.

Near IR Spectroscopic Studies on the Interaction between Acetamide and Lu$(dpm)_3$ in Carbon Tetrachloride

  • 최영상;김홍순;유정아;이상원;박정희;윤창주
    • Bulletin of the Korean Chemical Society
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    • 제17권6호
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    • pp.511-514
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    • 1996
  • The interactions between Ln(dpm)3 [Ln3+=Eu3+, Yb3+, Pr3+, Sm3+, Tb3+and Ho3+; dpm=tris 2,2,6,6-tetramethylheptane-3,5-dionate] and acetamide in CCl4 solution were investigated using near IR absorption spectroscopy. From the measured 2 νC=O+ amide Ⅲ combination band of acetamide in the region of 2130-2180 nm(4695-4587 cm-1), it was found that acetamide is coordinating through its carbonyl oxygen atom to Ln(dpm)3[C=O…Ln(dpm)3)] and forms only 1 : 1 stoichiometric Ln(dpm)3- acetamide complex. The ΔHo values for the formation of Ln(dpm)3-acetamide obtained from the temperature studies are -39.1, -28.4, -25.5, -24.7, -21.1 and -17.7 kJ mol-1 for Eu(dpm)3, Yb(dpm)3, Pr(dpm)3, Sm(dpm)3, Tb(dpm)3 and Ho(dpm)3, respectively, which are larger than those of the hydrogen bond between amide and various hydrogen acceptors. Except Eu(dpm)3 and Yb(dpm)3, -ΔHovalue increases as the ionic size increases.

2-Methyl-3-(N-trimethyl ammonium)phenol Iodide의 결정 구조 (The Crystal Structure of 2-Methyl-3-(N-trimethyl ammonium)phenol Iodide)

  • 조성일;윤혜숙;구정회
    • 약학회지
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    • 제24권2호
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    • pp.135-141
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    • 1980
  • The crystal and molecular structure of 2-methyl-3-(N-trimethyl ammonium)phenol iodide, $C_{10}H_{16}NOI, was determined by X-ray diffraction method. The compound crystallizes in the orthorhombic space group $P_{na2}_{1}$ with a=13.327(3), b=12.496(3), C=7.227(2)A and Z=4. A total of 489 independent observed reflections were collected by the automated Four-circle diffractometer and was solved by heavy atom method and refined by anisotropic block-diagonal least-squares method to the R value of 0.04. The benzene ring is slightly distorted from regular hexagon. The I atom and 2-methyl-3-(N-trimethyl ammonium)phenol group is held together by van der Waals forces in the crystal. Intermolecular hydrogen bond is of the type O-H....I with the length 3.35.angs.. Apart from the hydrogen bonding system the molecules are held together by van der Waals forces in the crystal.

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The Crystal and Molecular Structure of Maltitol

  • Park, Young-Ja;Shin, Jung-Mi;Shin, Whan-Chul;Suh, Il-Hwan
    • Bulletin of the Korean Chemical Society
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    • 제10권4호
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    • pp.352-356
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    • 1989
  • The crystal structure of maltitol, 4-O-${\alpha}$ -D-glucopyranosyl-D-glucitol, has been determined by X-ray diffraction method. The crystal is orthorhombic with cell parameters of a = 8.170(1), b = 12.731(1), c = 13.679(3) ${\AA}$, space group $P2_12_12_1$ and z = 4. The structure was solved by direct methods and refined to R = 0.030 for 1181 observed reflections measured on a diffractometer. The ${\alpha}$-glucose ring has chair conformation. The carbon atom chain of the glucitol residue has the bent, ap, Psc, Psc conformation. The angle at the ring oxygen atom is $112.6^{\circ}$ and the one at the glucosidic oxygen is $117.1^{\circ}$. The molecules are linked by very complicated hydrogen bonds, and there is an intramolecular hydrogen bond between O(1') and O(2').

The Crystal and Molecular Structure of Chloramphenicol Base

  • Shin, Whan-Chul;Pyo, Myung_Ho
    • Bulletin of the Korean Chemical Society
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    • 제5권4호
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    • pp.158-162
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    • 1984
  • The crystal structure of chloramphenicol base, $C_9H_{l2}N_2O_4$, the deacylated base of antibiotic chloramphenicol, has been determined by X-ray diffraction techniques using diffractometer data obtained by the ${\omega}-2{\theta}$ scan technique with CuK${\alpha}$ radiation from a crystal with space group symmetry $P2_12_12_1$ and unit cell parameters a = 22.322(6), b = 7.535(6), c = 5.781(5) ${\AA}$. The structure was solved by direct methods and refined by full-matrix least-squares to a final R = 0.051 for the 573 observed reflections. The overall conformation of the base is quite different from those of the chloramphenicol congeners which are similar despite the presence of many rotatable single bonds. The propane chain in the base is bent with respect to the phenyl ring, while it is extended in the chloramphenicol congeners. There is no intramolecular hydrogen bond between the hydroxyl groups of the propanediol moiety. All of the molecules in the crystal lattice are connected by a three-dimensional hydrogen bonding network.

실크 피브로인의 겔화

  • 김동우;하성진;임건빈;허원
    • 한국생물공학회:학술대회논문집
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    • 한국생물공학회 2001년도 추계학술발표대회
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    • pp.798-799
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    • 2001
  • The intermolecular hydrogen bond between silk fibroin in aqueous solution facilitates gelation of silk fibroin. The dependence of gelation by the concentration of silk fibroin, pH and temperature was investigated. The gelation time of silk fibroin is decreased with increasing the concentration of glycerol and temperature within a limited range. The pH optimum for gelation found out to be 9. Hydrophobic additives were investigated to reduce gelation time.

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메소-1,2-디아민을 이용한 Salen-코발트 착화합물의 합성과 항암효과 (Synthesis of Salens and Their Cobalt Complexes from Meso-1,2-Diamine and Their Anti-Cancer Property)

  • 고동수
    • Journal of Applied Biological Chemistry
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    • 제53권2호
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    • pp.108-111
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    • 2010
  • New salens (3) and their Cobalt complexes (4) were prepared from meso-1,2-bis(ortho-hydroxyphenyl)-1,2-diaminoethane (1) and substituted salicylic aldehydes (2). In contrast to symmetric structure of salen ligand (3), salen-Co(III) complexes (4) showed dissymmetric molecular structure due to participation of three hydroxyl groups in complex formation. One of the salens (3b) revealed decrease in Cyclin D1 expression, which represents anti-cancer property.

Excited-State Intramolecular Proton Transfer (ESIPT) Fluorescence in a Polymeric System

  • Park, Soo-Young
    • 한국고분자학회:학술대회논문집
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    • 한국고분자학회 2006년도 IUPAC International Symposium on Advanced Polymers for Emerging Technologies
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    • pp.35-36
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    • 2006
  • Excited-state intramolecular proton transfer (ESIPT) is a phototautomerization occurring in the excited states of the molecules possessing a cyclic intramolecular or solvent-bridged hydrogen bond. Recently, we have developed novel ESIPT chromophores, molecules, dendrimers and polymers which show very high fluorescence quantum efficiency combined with the characteristic features of optical switching, fluorescence patterining, lasing, and electroluminescence. Broad overview of these topics will be given in this talk.

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