論文 - 奥野　恒久

1-Ethyl-4-(1H-naphtho[1,8-de][1,3,2]diazaborinin -2(3H)-yl)pyridin-1-ium Iodide monohydrate

橋本柊, 三木慎太朗, 奥野恒久 (担当区分： 最終著者,　責任著者 )

IUCrdata   9   x240369   2024年03月  [査読有り]

1-Ethyl-4-(1H-naphtho[1,8-de][1,3,2]diazaborinin -2(3H)-yl)pyridin-1-ium Iodide

橋本柊, 奥野恒久 (担当区分： 最終著者,　責任著者 )

IUCrdata   9   x240362   2024年03月  [査読有り]

2,3,4,5,6-ペンタクロロ安息香酸水和物結晶:結晶学的そして計算科学的な乱れた水素結合系の構造解析

奥野恒久, 尾﨑康次, 東野伊央里 (担当区分： 筆頭著者,　責任著者 )

Journal of Molecular Structure   1276   134815   2023年01月  [査読有り]

10-[(4-Nitrophenyl)ethynyl]-10H-phenothiazine

奥野恒久, 土居生枝 (担当区分： 筆頭著者,　責任著者 )

IUCrData   7   x220942   2022年09月  [査読有り]

DOI

N-Phenyl-N-[(E)-2-(4,4,5,5-tetramethyl-1,3,2- dioxaborolan-2-yl)ethenyl]aniline

畑山 友希, 赤木 一登, 奥野 恒久 (担当区分： 最終著者,　責任著者 )

IUCrData   7   x220083 - x220083   2022年01月  [査読有り]

9-[(Z)-2-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)エテニル]-9H-カルバゾールの結晶構造

金川真侑, 赤木一登, 奥野恒久 (担当区分： 最終著者,　責任著者 )

IUCrデータ ( International Union of Crystallography (IUCr) )  6 ( 2 ) x210142 - x210142   2021年02月  [査読有り]

　概要を見る

The title compound, C₂₀H₂₂BNO₂, has a polarized π-system due to resonance between N—C(H)=C(H)—B and ionic N⁺=C(H)—C(H)=B⁻ canonical structures. The dihedral angles between the ethenyl plane (r.m.s. deviation for C₂H₂ = 0.0333 Å) with the ethenyl-<italic>C</italic>(NC₂-pyrrole) plane (r.m.s. deviation CNC₂ 0.0423 Å) and the ethenyl-C(BO₂-1,3,2-dioxaborolane) plane (r.m.s. deviation BCO₂ 0.0082 Å) are 45.86 (8) and 37.47 (8)°, respectively, and are greater than those found for the previously reported <italic>E</italic>-isomer [Hatayama &amp; Okuno (2012) <italic>Acta Cryst.</italic> E<bold>68</bold>, o84]. In comparison with the <italic>E</italic>-isomer, the reduced planarity of <italic>Z</italic>-isomer results in a decrease of the contribution of the N⁺=C(H)—C(H)=B⁻ canonical structure.

DOI

N-(6-(ジフェニルアミノ)ピリジン-2-イル)-N-フェニルアセタミドの結晶構造とDFT計算

奥田朋花, 梅園悟, 奥野恒久 (担当区分： 最終著者,　責任著者 )

Journal of Structural Chemistry ( NIIC SB RAS )  60 ( 3 ) C.412 - C.414   2019年05月  [査読有り]

DOI

N-[5-(ジフェニルアミノ)ペンタ-2,4-ジイン-1-イル]ベンズアミドの結晶多形

尾﨑康次, 奥野恒久 (担当区分： 最終著者,　責任著者 )

IUCrデータ ( International Union of Crystallography (IUCr) )  4 ( 4 ) x190371 - x190371   2019年03月  [査読有り]

　概要を見る

The title compound, C₂₄H₁₈N₂O, was been described previously in the space group <italic>P</italic>2₁/<italic>c</italic> with <italic>Z</italic> = 4 [Kawashima &amp; Okuno (2017). <italic>IUCrData</italic>, <bold>2</bold>, x170277]. The current <italic>P</italic>\overline{1} polymorph was obtained from a chloroform–ethanol solution. The molecular structure in this polymorph is slightly different from the previously reported structure, with different dihedral angles of the two <italic>N</italic>-phenyl groups to the ynamine plane; these are 79.99 (11) and 12.09 (11)° in the polymorph reported here. The molecules form dimers through four C—H...π interactions. Furthermore, in this polymorph, the molecules stack along the <italic>a</italic> axis to form a molecular arrangement that would be suitable to promote the solid-state polymerization of diacetylenes.

DOI

3-(4-ヨードフェニル)ペンタンジニトリルの結晶構造

南保勇輝, 奥野恒久 (担当区分： 最終著者,　責任著者 )

IUCrデータ ( International Union of Crystallography (IUCr) )  4 ( 2 ) x190282 - x190282   2019年02月  [査読有り]

　概要を見る

In the title pentanedinitrile derivative, C₁₁H₉IN₂, the iodophenyl group is connected at the 3-position. The central propylene chain of the pentanedinitrile moiety contains one <italic>gauche</italic> conformation as a result of steric repulsion with the phenyl ring. Intermolecular close contacts in the crystal comprise a weak C<italic>sp</italic>
³—H...N hydrogen bond and a C—I...N halogen bond.

DOI

2,3,4,5,6-ペンタクロロ安息香酸の結晶多形と量子化学計算

尾﨑康次, 奥野恒久 (担当区分： 最終著者 )

Journal of Molecular Structure ( Elsevier BV )  1173   959 - 963   2018年12月  [査読有り]

DOI

6-[(フェニルカルバモイル)オキシ]ヘキサ-2,4-ジイン-1-イル イソニコチン酸エステルの結晶多形

山本稜, 南翔馬, 奥野恒久 (担当区分： 最終著者,　責任著者 )

Acta Crystallographica Section C Structural Chemistry ( International Union of Crystallography (IUCr) )  74 ( 8 ) 876 - 881   2018年08月  [査読有り]

　概要を見る

The title compound, C₁₉H₁₄N₂O₄, was found to have two crystal polymorphs, in which the molecular structures of the diacetylenic compound are broadly similar. The main structural difference between the polymorphs concerns the intermolecular hydrogen-bonding motifs adopted, namely a one-dimensional zigzag polymer linked by N—H...N(py) (py is pyridine) interactions in polymorph I and a centrosymmetric dimeric motif formed by N—H...O=C interactions in polymorph II. The diacetylene cores of the molecules stack along the <italic>a</italic> and <italic>b</italic> axes in polymorphs I and II, respectively. It was found that only the molecular arrangement in polymorph II satisfies Baughman's criterion to afford polydiacetylenes (PDAs) by thermal annealing or irradiation with light. This predicted polymerization activity was confirmed by experiment.

DOI

5-[フェニル(ピリジン-4-イル)アミノ]ペンタ-2,4-ジイン-1-オールの結晶構造

梅園悟, 奥野恒久 (担当区分： 最終著者,　責任著者 )

IUCrデータ ( International Union of Crystallography (IUCr) )  3 ( 3 ) x180454 - x180454   2018年03月  [査読有り]

　概要を見る

In the title diacetylene derivative, C₁₆H₁₂N₂O, the amino plane makes dihedral angles of 3.90 (4) and 60.53 (4)°, respectively, with the pyridyl and phenyl rings, indicating that an electron-deficient pyridyl ring makes better conjugation with a lone pair of the amino nitrogen atom. In the crystal, molecules form inversion dimers<italic>via</italic>pairs of hydrogen bonds between the hydroxy and pyridyl groups, with an O...N distance of 2.7765 (16) Å. The dimers stack along the<italic>a</italic>axis, but the title compound shows little solid-state polymerization reactivity.

DOI

10-[1,1-ジクロロ-4-(トリメチルシリル)ブタ-1-エン-3-イン-2-イル]-10H-フェノチアジンの結晶構造

梅園悟, 奥野恒久 (担当区分： 最終著者,　責任著者 )

IUCrデータ ( International Union of Crystallography (IUCr) )  3 ( 2 ) x180232 - x180232   2018年02月  [査読有り]

　概要を見る

The title compound, C₁₉H₁₇Cl₂NSSi, is an enamine derivative, in which the N atom adopts a shallow trigonal–pyramidal geometry [displacement from the plane of its attached C atoms = 0.1383 (18) Å]. The dihedral angle between the plane through the three amino carbon atoms and the vinyl group is 89.47 (7)°. The phenothiazine unit has a butterfly structure and the central six-membered ring adopts a boat conformation. The fold angle between the benzene rings is 28.52 (7)°. The crystal structure features weak C<italic>sp</italic>³—H...Cl hydrogen bonds, H...S contacts and π–π stacking interactions between phenothiazine units.

DOI

アセチレン基を置換基とする新規TCNQ誘導体の配座多形結晶

飯田勇輝, 片岡誠, 奥野恒久 (担当区分： 最終著者,　責任著者 )

Journal of Molecular Structure ( Elsevier BV )  1152   261 - 265   2018年01月  [査読有り]

DOI

(E)-10-(1,2-dihalovinyl)-10H-phenothiazine 5,5-dioxidesにおけるハロゲン結合の系統的研究

梅園悟, 奥野恒久 (担当区分： 最終著者,　責任著者 )

Journal of Molecular Structure ( Elsevier BV )  1147   636 - 642   2017年11月  [査読有り]

DOI

N2,N2,N6,N6-テトラフェニルピリジン-2,6-ジアミンの結晶構造

三木慎太朗, 梅園悟, 奥野恒久 (担当区分： 最終著者,　責任著者 )

IUCrデータ ( International Union of Crystallography (IUCr) )  2 ( 4 ) x170521 - x170521   2017年04月  [査読有り]

　概要を見る

In the title compound, C₂₉H₂₃N₃, the molecule has an unsymmetrical structure, although it can possess<italic>Cs</italic>symmetry. The NC_{<italic>3</italic>}units around the amino N atoms are approximately planar and make dihedral angles of 13.41 (5) and 31.05 (5)° with the pyridine ring. In the crystal, C—H...N interactions between the phenyl and pyridyl rings lead to a columnar stack along the<italic>b</italic>axis.

DOI

N-[5-(ジフェニルアミノ)ペンタ-2,4-ジイン-1-イル]ベンズアミドの結晶構造

川島拓也, 奥野恒久 (担当区分： 責任著者 )

IUCrデータ ( International Union of Crystallography (IUCr) )  2 ( 2 ) x170277 - x170277   2017年02月

　概要を見る

In the title compound, C₂₄H₁₈N₂O₁, the ynamine moiety has a near-planar structure (r.m.s. deviation = 0.0200 Å), and makes dihedral angles of 52.99 (7) and 27.91 (7)° with the phenyl rings. In the crystal, the molecules exhibit a dimeric form owing to bifurcated C—H...π interactions within a centrosymmetric dimer. Intermolecular N—H...O hydrogen bonds are also formed along the<italic>b-</italic>axis direction.

DOI

ニコチン酸エステル骨格を含むジアセチレン誘導体の合成・結晶構造・DFT計算

南翔馬, 岩橋宏和, 奥野恒久 (担当区分： 最終著者,　責任著者 )

Journal of Molecular Structure ( Elsevier BV )  1108   438 - 443   2016年03月  [査読有り]

DOI

9-(1,3-ブタジイニル)カルバゾール誘導体の結晶多形と固相重合反応

田端秀行, 桑本和典, 奥野恒久 (担当区分： 最終著者,　責任著者 )

Journal of Molecular Structure ( Elsevier BV )  1106   452 - 459   2016年02月  [査読有り]

DOI

N-フェニル-N-(ピリジン-4-イル)アセタミドの結晶構造とDFT計算

梅園悟, 奥野恒久 (担当区分： 最終著者,　責任著者 )

J. Struct. Chem   56   472 - 474   2015年07月  [査読有り]