• 제목/요약/키워드: bond angle

검색결과 194건 처리시간 0.027초

치근단낭과 유사한 stafne 골낭종의 증례 보고 (Anterior stafne bone cyst mimicking periapical cyst: a case report)

  • 송지영
    • 구강회복응용과학지
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    • 제32권3호
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    • pp.209-213
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    • 2016
  • Stafne 골낭종은 악하선의 발생 시 생긴 하악골의 결손부로 주로 하악골의 후방부나 하악 우각부에 발생한다. 대부분 하치조 신경관 하방에 발생하며 하악골 전방부에 발생하거나 하악 치아와 연관된 경우는 드물다. 또한 하악골의 천공을 일으키는 경우는 더욱 드물다. 본 증례는 하악골 전방부에 발생하여 하악골 천공을 일으킨 치근단낭과 유사한 병소가 stafne 골낭종으로 진단된 희귀한 증례로, 이와 유사하게 하악골에 발생 가능한 병소의 감별 진단과 함께 보고하고자 한다.

MBBA와 EBBA의 합성 NMR 스펙트럼과 분자궤도함수론적 연구 (The Synthesis, NMR Sepectrum and MO Theoretical Studies on MBBA and EBBA)

  • 김의락;전무식;김운섭;채영복
    • 대한화학회지
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    • 제18권4호
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    • pp.239-243
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    • 1974
  • 합성한 MB BA0와 EBBA의 NMR spectrum 의 분석결과로 N-(p-methoxy benzylidene)-p-n-butylaniline(MBBA)dhk N-(p-ethoxy benzylidene)-p-n-butylaniline(EBBA)분자내의 p-n-butylaniline의 벤젠핵과 분자내의 다른 이중결합 사이에 conjugation이 일어나고 있지 않음을 발견하였으며 이 벤젠핵은 분자 방면으로부터 이탈되어 있다는 결론과 분자궤도 계산겨로가 벤젠기가 평면에서 30도 이탈되어 있을 때 minimum energy conformation을 지님을 알았고 이는 NMR 분석결과와 잘 일치하였다.

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DFT Study of Bis(Crown-Ether) Analogue of Troger’s Base Complexed with Bisammonium Ions: Hydrogen Bonds

  • Kim, Kwan-Ho;Choe, Jong-In
    • Bulletin of the Korean Chemical Society
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    • 제27권11호
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    • pp.1737-1740
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    • 2006
  • The optimized structures and complexation energies of bis(18-crown-6-ether) analogue (2) of Trgers base (1) with a series of primary alkylbisammonium ions have been calculated by DFT B3LYP/6-31G(d,p) method. The calculated complexation efficiency (-142.84 kcal/mol) of 2 for butane-1,4-diylbisammonium guest is better than twice of the value (-61.40 kcal/mol) for butylammonium ion. The multiple hydrogen-bond abilities for the complexes are described as the function of the length of the alkyl substituents of the bisammonium guests with normal-alkyl chain [$-(CH_2)_{n-}$, n = 4-8]. The longer bisammonium guest shows the stronger hydrogen-bonding characterizations (the distance and the quasi-linear angle of the N-H…O) to the host 2 than the shorter bisammonium ions. These calculated results agree with the experimental data of the complexation of 2 with bisammonium salts ([$NH_3(CH_2)_nNH_3$] $Cl_2$).

The Crystal Structure of Tolfenamic Acid $(C_{14}H_{12}ClNO_2)$, an Antiinflammatory Fenamate

  • Kim, Yang-Bae;Chung, Uoo-Tae;Park, Il-Yeong
    • Archives of Pharmacal Research
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    • 제19권2호
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    • pp.160-162
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    • 1996
  • The structural analysis of tolfenamic acid, 2-[(3-chloro-2-methylphenyl)-amino]benzoic acid, was performed by single crystal X-ray diffraction technique. The compound was recrystallized from a mixture of ether and toluene in triclinic, space group $P2_1/c, \;with\; \partial=3.914(1), \; b=22.\; 020(2), \; c=14.271(1)\;{\AA}, \beta.=94.68(1)^{\circ}, $ and Z=4. The calculated density is $1.418 g/cm^3$. The structure was solved by the direct method and refined by full matrix least-squares procedure to the final R value of 0.039 for 1773 independent reflections. In the molecule, carboxyl group at the anthranilic acid is coplanar to the phenyl ring. The dihedral angle between the two aromatic rings of the molecule is $44.2^{\circ}$ The molecules are dirnerized through the intermolecular hydrogen bonds at the carboxyl group in the crystal.

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Ferroelectric-Paraelectric Phase Transition of CsH2PO4 studied by Static NMR and MAS NMR

  • Lim, Ae Ran;Lee, Kwang-Sei
    • 한국자기공명학회논문지
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    • 제19권1호
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    • pp.29-35
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    • 2015
  • The microscopic dynamics of $CsH_2PO_4$, with two distinct hydrogen bond lengths, are studied by static nuclear magnetic resonance (NMR) and magic angle spinning (MAS) NMR. The proton dynamics of the two crystallographically inequivalent hydrogen sites were discussed in terms of the $^1H$ NMR and $^1H$ MAS NMR spectra. Although the hydrogen bonds have two inequivalent sites, H(1) and H(2), distinct proton dynamics for the two sites were not found. Further, the $^{133}Cs$ spectrum is more or less continuous near $T_{C1}$ (=153 K). Finally, the phase transition mechanism of $T_{C1}$ in $CsH_2PO_4$ is related to the ordering of protons.

발전기 고정자 권선의 부분방전 특성을 이용한 절연진단 연구 (A Study on Insulation Diagnosis by Partial Discharge Spectroscopy of Generator Stator Winding)

  • 강동식;김용주;김길용
    • 대한전기학회:학술대회논문집
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    • 대한전기학회 1993년도 하계학술대회 논문집 B
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    • pp.584-587
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    • 1993
  • Mica, which have a good thermal and electrical characteristics, while will cleave easily at these layers. In order to bond mica materials soldily, mica/epoxy composite insulation materials were developed for generator stator winding. There are lots of problems such as delamination and partial discharge of these insulation materials caused by mechanical, electrical and thermal aging. Several experiments have been conducted in order to find the useful diagnostic parameters from the partial discharge phenomena by applying a new measurement techniques. this paper deals with the partial discharge pulse characteristics, which may be a useful diagnostic concept in predicting insulation condition of generator stator insulation materials. Long term insulation aging test shows that partial discharge phase angle an magnitude are identified as one of the main key techniques for insulation diagnosis on generator stator winding.

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Chemisorption and orientation of Selenopheneon Si(100)-$2{\times}1$

  • Lee, Han-Koo;Kim, Ki-Jeong;Kim, Hyeong-Do;Shin, Hyun-Joon;Kim, Bong-Soo
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2009년도 제38회 동계학술대회 초록집
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    • pp.372-372
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    • 2010
  • We have investigated adsorption of selenophene on Si(100) at room temperature using high resolution photoemission spectroscopy (HRPES) and near edge X-ray absorption fine structure (NEXAFS) in the partial electron yield (PEY) mode. The Si 2p, C 1s, Se 3d spectra of selenophene on Si(100) show that selenophene is nondissociatively chemisorbed on Si(100)-$2{\times}1$ through [2+2] cycloaddition. NEXAFS has been conducted to characterize the adsorption geometry of selenophene on Si(100). Since the $\pi^*$ orbital of C=C bond show good angular dependence in carbon K-edge NEXAFS spectra, the angle $53{\pm}5^{\circ}$ determined from NEXAFS spectra. This majority structure is consistent with the [2+2] cycloaddition of selenophene to the dimer of the Si(100)-$2{\times}1$ surface.

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The Crystal and Molecular Structures of Sulfametrole

  • Koo Chung Hoe;Chung Yong Je;Shin Hyun So;Suh Jung Sun
    • Bulletin of the Korean Chemical Society
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    • 제3권1호
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    • pp.9-13
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    • 1982
  • Sulfametrole, $C_9H_{10}N_4O_3S_2$, crystallizes in the monoclinic system, space group $P2_1/n$ , with a = 8.145(2), b = 16.505(4), c = 9.637(1)${\AA},{\beta}=103.72(1)^{\circ},D_m=1.52gcm^{-3}$,Z=4.Intensities for 3594(2143 observed) unique reflections were measured on a four-circle diffractometer with Mo $K{\alpha}$ radiation $({\lambda}=0.71069{\AA})$. The structure was solved by direct method and refined by full-matrix least squares to a final R of 0.070. The geometrical features of the thiadiazole ring indicate some ${pi}$-electron delocalization inside the ring. The least squares planes defined by the benzene and thiadiazole rings are nearly perpendicular to each other(dihedral angle; $93.9^{\circ}$ ). All the potential hydrogen-bond donor atoms in the molecule, N(1) and N(2), are included in the hydrogen bonding. The molecules through hydrogen bonding form three dimensional network.

Structural Transition of A-Type Zeolite: Molecular Dynamics Study

  • Song, Mee-Kyung;Chon, Hak-Ze
    • Bulletin of the Korean Chemical Society
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    • 제14권2호
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    • pp.255-258
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    • 1993
  • Molecular dynamics (MD) calculations were carried out in order to investigate the effect of MD cell size to predict the melting phenomena of A-type zeolite. We studied two model systems: a pseudocell of $(T_2O_4Na)_n$, (L= 12.264 $^{\AA}$, N= 84) and a true-cell of (SiAlO$_4Na)_n$. (L= 24.528 $^{\AA}$, N= 672), where T is Si or Al. The radial and bond angle distribution functions of T(Si, Al)-O-T(Si, Al) and diffusion coefficients of T and O were reported at various temperatures. For the true-cell model, the melting temperature is below 1500 K and probably around 1000 K, which is about 600-700 K lower than the pseudocell model. Although it took more time (about 30 times longer) to obtain the molecular trajectories of the true-cell model than those of the pseudocell model, the true-cell model gave more realistic structural transition for the A-type zeolite, which agrees with experiment.

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').