• 제목/요약/키워드: H-ring

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Crystal Structure Analysis of Methyl-3-phenyl-3H-chromeno[4,3-c]isoxazole-3a(4H)-carboxylate

  • Ganapathy, Jagadeesan;Srinivasan, J.;Manickam, Bakthadoss
    • 통합자연과학논문집
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    • 제8권3호
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    • pp.184-191
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    • 2015
  • The crystal structure of the potential active methyl-3-phenyl-3H-chromeno[4,3-c]isoxazole-3a(4H)-carboxylate ($C_{18}H_{15}NO_4$) has been determined from single crystal X-ray diffraction data. In the title compound crystallizes in the orthorombic space group $P2_12_12_1$ with unit cell dimension $a=9.8320(17){\AA}$, $b=9.9890(18){\AA}$ and $c=15.588(3){\AA}$ [${\alpha}=90^{\circ}$, ${\beta}=90^{\circ}$ and ${\gamma}=90^{\circ}$]. In the structure chromene, isoxazole and carboxylate are almost coplanar each other. All geometrical parameters revelled that chromene ring of pyran ring adopt sofa conformation. The crystal packing is stabilized by intermolecular C-H...O and C-H...N hydrogen bond interaction.

Sodium Sulfisoxazole Hexahydrate의 결정 및 분자구조와 수소결합에 관한 연구 (The Crystal and Molecular Structure of Sodium Sulfisoxazole hexahydrate)

  • 박영자;구정회
    • 대한화학회지
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    • 제20권1호
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    • pp.19-34
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    • 1976
  • Sodium sulfisoxazole hexahydrate, $C_{11}H_{12}N_3O_3SNa{\cdot}6H_2O$의 결정 및 분자구조를 X-선 회절법으로 해명하였다. 이 화합물의 결정은 공간군 $P2_1/c$에 속하는 단사형으로 a = 15.68(3), b = 7.70(2), c = $17.94(4){\AA}$, ${\beta}$ = $118(2)^{\circ}$ and Z = 4이다. Weissenberg 사진 촬영으로 얻은 회절반점의 총수는 1717개이며 중원자법을 적용하여 구조해명을 한 후 최소 자승법으로 정밀화하였으며 최종 R값은 0.14이다. Benzene ring과 isoxazole ring은 평면구조를 가지며 서로 $60^{\circ}$의 각을 이루고 있다. 나트륨 원자는 다섯개의 물의 산소 원자들과 N(1)으로 만들어진 찌그러진 팔면체로 배위되어 있다. 분자들은 결정내에서 14개의 서로 다른 종류의 수소결합으로 결합되어 있다. 여섯종류의 $O-H{\cdots}O-H$, 세종류의 $O-H{\cdots}O,$ 두종류의 $O-H{\cdots}N$및 각각 한종류의 $N-H{\cdots}O,$ $O-H{\cdots}N$, $N-H{\cdots}O-H$ 수소결합들이며 그 길이는 2.71에서 $3.04{\AA}$까지이다.

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Substituents Effect on Aziridine Chemistry: N-Inversion Energy, Reactivity and Regioselectivity of Nucleophilic Ring-opening

  • Park, Gyoo-Soon;Kim, Seok-Chan;Kang, Han-Young
    • Bulletin of the Korean Chemical Society
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    • 제26권9호
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    • pp.1339-1343
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    • 2005
  • The N-inversion energies and nucleophilic ring-opening reactions of N-substituted aziridine compounds are investigated using B3LYP/6-31+$G^*$ methods, where substituents (R) on the nitrogen atom has been H (1), Me (2), Ph (3), Bn (4), CHMePh (5), $CO_2Me$ (6), COPh (7) and $SO_2Ph$ (8). The N-inversion energy with X group are decreased as the following order: R = CHMePh (17.06 kcal/mol) $\gt$ Me (16.97) $\gt$ Bn (16.70) $\gt$ H (16.64) $\gt$ $SO_2Ph$ (12.18) $\gt$ Ph (8.91) $\gt$ COPh (5.75) $\gt$ $CO_2Me$ (5.48). For reactivity of the ring opening toward cyanide ion, the aziridine 6 (R=$CO_2Me$) is shown to be the most reactive one. During the ring opening of aziridine 6 by CN$^{\ominus}$, the torsional OCNC angle becomes near to $180^{\circ}$, where the geometry allows for the effective incorporation of electrons of the nitrogen atom to the C=O bond. It would be a possible driving force for nucleophilic ring opening reaction as well as decreasing the N-inversion energy barrier. Regarding to the regioselectivity, the orientation of nucleophile in ring opening reaction appears to be different in the case of 9 and 10. The results are discussed in terms of steric/electronic effect of the $C_2$-substituents.

링 압축시험에서 마찰인자 구간별 치수 변화의 민감도 (Sensitivity of Dimensional Changes to Interfacial Friction over the Definite Range of Friction Factor in Ring Compression Test)

  • 임중연;노정훈;황병복
    • 소성∙가공
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    • 제19권8호
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    • pp.494-501
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    • 2010
  • The main objective of this study is to examine the sensitivity of calibration curves of FEA of ring compression test to frictional shear factor. Ring compression test has been investigated by measuring dimensional changes at different positions of ring specimen and they include the changes in internal diameter at the middle and top section of the specimen, outer diameter at the middle and top section, surface expansion at the top surface, respectively. Initial ring geometries employed in analysis maintain a fixed ratio of 6 : 3 : 2, i.e. outer diameter : inner diameter : thickness of the ring specimen, which is generally known as 'standard' specimen. A rigid plastic material for different work-hardening characteristics has been modeled for simulations using rigid-plastic finite element code. Analyses have been performed within a definite range of friction as well as over whole range of friction to show different sensitivities to the interfacial friction for different ranges of friction. The results of investigation in this study have been summarized in terms of a dimensionless gradient. It has been known from the results that the dimensional changes at different positions of ring specimen show different linearity and sensitivity to the frictional condition on the contact surface.

Ti-6Al-4V 합금의 대형 링 압연공정설계 (Process Design for Large-Scale Ring-Rolling of Ti-6Al-4V Alloy)

  • 염종택;김정한;이동근;박노광;최승식;이종수
    • 소성∙가공
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    • 제16권3호
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    • pp.172-177
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    • 2007
  • The process design for large-scale ring rolling of Ti-6Al-4V alloy was performed by calculation method, processing map approach and FEM simulation. The ring rolling design includes geometry design and optimization of process variables. The calculation method was used to make geometry design such as initial billet and blank sizes, and final rolled ring shape. A commercial FEM code, SHAPE-RR was used to simulate the effect of process variables in ring rolling on the distribution of the internal state variables such as strain, strain rate and temperature. In order to predict the forming defects during ring rolling and the formation of over-heating above $\beta$-transus temperature due to deformation heating, the process-map approach based on Ziegler's instability criterion was used with FEM simulation. Finally, an optimum process design to obtain sound Ti-6Al-4V rings without forming defects was suggested through combined approach of Ziegler's instability map and FEM simulation results.

Zinc finger RING-H2 protein관련 Ac/Ds전이인자 삽입 변이체 Oszinc626 유전자의 특성 분석 (Characterization of Oszinc626, knock-out in zinc finger RING-H2 protein gene, in Ac/Ds mutant lines of rice(Oryza sativar L.))

  • 박슬아;정유진;안병옥;윤도원;지현소;박용환;은무영;서석철;이순열;이명철
    • Journal of Plant Biotechnology
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    • 제35권3호
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    • pp.177-183
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    • 2008
  • 본 연구는 동진벼 유래의 Ac/Ds 삽입변이집단의 GUS 분석을 통하여 뿌리 및 미숙종자에서 강하게 GUS가 발현한 개체를 선발하여 FST(flanking sequence tag) 분석 한 결과 Ds 전이 인자가 3번 염색체 zinc finger RING-H2 관련 Oszinc626 유전자의 첫 번째 exon 부위에 single copy로 삽입되어 있었으며, 선발변이체는 뿌리 및 종자 발달이 정상인 동진벼에 비해 매우 낮은 것으로 나타났다. Oszinc626 유전자는 RING-H2 type(C3-H2-C3)으로 $Cys-X_2-Cys-X_{28}-Cys-X-His-X_2-His-X_2-Cys-X_{14}-Cys-X_2-Cys$ 배열이 C-terminus 가장 말단에 위치하며, 49 kDa의 분자량을 가지고 있다. 또한 Southern blot 분석에서 Oszinc626 유전자는 벼 게놈상에 single copy로 존재하였다. RT-PCR을 통한 돌연변이 유전자의 발현분석 결과 250 mM의 염과, $4^{\circ}C$ 저온등과 같은abiotic stress에 의해 발현이 증가함을 보였고, 호르몬처리에 있어서 ABA와 IAA의 식물호르몬을 처리했을 경우 24시간까지 계속해서 발현양이 증가하는 것을 보이는 반면, 2,4-D 처리의 경우 30분 후에 발현이 일시적으로 증가되었으나 이후 발현이 급속히 감소한 것을 보였다. 벼의 조직 별 발현 검정에서 미성숙한 종자, 뿌리 분열조직 및 신초 등 주로 생장점 부위에서 강하게 발현되는 것을 보임에 따라 Oszinc626 유전자의 경우 식물의 생장에 관여하는 주동 유전자의 하나로 판단된다.

Syntheses of Alternating Head-to-Head Copolymers of Vinyl Ketones and Vinyl Ethers, and Their Properties. Ring-Opening Polymerization of 2,3,6-Trisubstituted-3,4-dihydro-2H-pyrans

  • Lee, Ju-Yeon;Cho, I-Whan
    • Bulletin of the Korean Chemical Society
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    • 제8권2호
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    • pp.102-105
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    • 1987
  • 2-Methoxy-6-methyl-3,4-dihydro-2H-pyran ($1_a$), 2-ethoxy-3,6-dimethyl-3,4-dihydro-2H-pyran ($1_b$), and 2-ethoxy-3-methyl-6-ethyl-3,4-dihydro-2H-pyran ($1_c$) were prepared by (4 + 2) cycloaddition reaction from the corresponding vinyl ketones and alkyl vinyl ethers. Compounds $1_{a-c}$ were ring-open polymerized by cationic catalyst to obtain alternating head-to-head (H-H) copolymers. For comparison, copolymer of head-to-tail (H-T) was also prepared by free radical copolymerization of the mixture of the corresponding monomers. The H-H copolymer exhibited some differences in its $^1H$ NMR and IR spectra. However, significant differences were showed between the H-H and H-T copolymers in the $^{13}C$ NMR spectra. Also noteworthy was that$T_g$ value of H-H copolymer was higher than that of the corresponding H-T structure. Decomposition temperature of the H-H copolymer was lower than that of the H-T copolymer. All the H-H and H-T copolymers were soluble in common solvents.

SOME RESULTS ON n-JORDAN HOMOMORPHISMS

  • Cheshmavar, Jahangir;Hosseini, Seyed Kamel;Park, Choonkil
    • 대한수학회보
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    • 제57권1호
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    • pp.31-35
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    • 2020
  • With the motivation to extend the Zelasko's theorem on commutative algebras, it was shown in [2] that if n ∈ {3, 4} is fixed, A, B are commutative algebras and h : A → B is an n-Jordan homomorphism, then h is an n-ring homomorphism. In this paper, we extend this result for all n ≥ 3.