Crystal structure and Hirshfeld surface analysis of 3-(4-methoxyphenyl)-1-methyl-4-phenyl-1H-pyrazolo[3,4-d]pyrimidine

被引：2

作者：

El Hafi, Mohamed ^{[1
]}

Kansiz, Sevgi ^{[2
]}

Lahmidi, Sanae ^{[1
]}

Boulhaoua, Mohammed ^{[1
]}

Ramli, Youssef ^{[3
]}

Dege, Necmi ^{[2
]}

Essassi, El Mokhtar ^{[1
]}

Mague, Joel T. ^{[4
]}

机构：

[1] Univ Mohammed 5, Fac Sci, Pole Competence Pharmacochim, Lab Chim Organ Heterocycl,Ctr Rech Sci Medicamen, Av Ibn Battouta, Rabat 1014, Morocco

[2] Ondokuz Mayis Univ, Fac Arts & Sci, Dept Phys, TR-55139 Kurupelit, Samsun, Turkey

[3] Mohammed V Univ, Fac Med & Pharm, Lab Med Chem, Rabat, Morocco

[4] Tulane Univ, Dept Chem, New Orleans, LA 70118 USA

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2019年 / 75卷

关键词：

crystal structure; hydrogen bond; C-H center dot center dot center dot pi(ring) interactions; pyrazolo-pyrimidine; Hirshfeld surface analysis; METAL-IONS;

D O I：

10.1107/S2056989019004894

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

In the title molecule, C19H16N4O, the planar pyrazolopyrimidine moiety is inclined to the attached phenyl rings by 35.42 (4) and 54.51 (6)degrees. In the crystal, adjacent molecules are linked into chains parallel to [110] and [1 (1) over bar0] by C-H center dot center dot center dot O and C-H center dot center dot center dot N hydrogen bonds. Additional C-H center dot center dot center dot pi(ring) interactions lead to the formation of the final three-dimensional network structure. The Hirshfeld surface analysis of the title compound suggests that the most significant contributions to the crystal packing are from H center dot center dot center dot H (48.2%), C center dot center dot center dot H/H center dot center dot center dot C (23.9%) and N center dot center dot center dot H/H center dot center dot center dot N (17.4%) contacts.

引用

页码：638 / +

页数：9

共 50 条

[41] 4-(2-Furyl)-1-(4-methoxybenzyl)-1H-pyrazolo[3,4-d]pyrimidine
Braendvang, Morten
Gundersen, Lise-Lotte
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2007, 63 : O2849 - U2087
[42] Crystal structure and Hirshfeld surface analysis of (3S, 3aR, 6aS)-3-(1, 3-diphenyl-1H-pyrazol-4-yl)-5(4-methoxyphenyl)-2-phenyl-3,3a,4,5,6,6a-hexa-hydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Mohamed, Shaaban K.
Said, Awad, I
Mague, Joel T.
El-Emary, Talaat, I
Akkurt, Mehmet
Elgarhy, Sahar M., I
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2021, 77 : 356 - +
[43] STUDIES ON PYRAZOLO[3,4-D]PYRIMIDINE DERIVATIVES .18. FACILE PREPARATION OF 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4(5H)-ONES
MIYASHITA, A
IIJIMA, C
HIGASHINO, T
MATSUDA, H
HETEROCYCLES, 1990, 31 (07) : 1309 - 1314
[44] DFT calculations on molecular structure, MEP and HOMO-LUMO study of 3-phenyl-1-(methyl-sulfonyl)-1H-pyrazolo[3,4-d]pyrimidine-4-amine
Shukla, Bindesh Kumar
Yadava, Umesh
MATERIALS TODAY-PROCEEDINGS, 2022, 49 : 3056 - 3060
[45] Crystal structure of 1-ethylpyrazolo-[ 3,4-d] pyrimidine-4(5H)-thione
El Fal, Mohammed
Ramli, Youssef
Essassi, El Mokhtar
Saadi, Mohamed
El Ammari, Lahcen
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2014, 70 : O1005 - +
[46] (3,5-Dimethylpyrazol-1-yl)-[4-(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)phenyl] methanone
Bakr, Rania B.
Mehany, Ahmed B. M.
MOLBANK, 2016, (04)
[47] 4,5-Dihydro-1H-pyrazolo[3,4-d] pyrimidine containing phenothiazines as antitubercular agents
Siddiqui, Arif B.
Trivedi, Amit R.
Kataria, Vipul B.
Shah, Viresh H.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2014, 24 (06) : 1493 - 1495
[48] PYRAZOLO[3,4-D]PYRIMIDINE RIBONUCLEOSIDES AS ANTICOCCIDIALS .2. SYNTHESIS AND ACTIVITY OF SOME NUCLEOSIDES OF 4-(ALKYLAMINO)-1H-PYRAZOLO[3,4-D]PYRIMIDINES
RIDEOUT, JL
KRENITSKY, TA
KOSZALKA, GW
COHN, NK
CHAO, EY
ELION, GB
LATTER, VS
WILLIAMS, RB
JOURNAL OF MEDICINAL CHEMISTRY, 1982, 25 (09) : 1040 - 1044
[49] REGIOSELECTIVE ALKYLATION OF 4,6-BIS(METHYLTHIO)-1H-PYRAZOLO[3,4-D]PYRIMIDINE
GARG, N
AVASTHI, K
BHAKUNI, DS
SYNTHESIS-STUTTGART, 1989, (11): : 876 - 878
[50] SYNTHESIS OF 1,5-DIHYDRO-5-(4-METHOXYPHENYL)-4H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES AND THEIR RIBOSIDES AND MANNICH-BASES
FINLANDER, P
PEDERSEN, EB
ARCHIV DER PHARMAZIE, 1985, 318 (05) : 452 - 459

← 1 2 3 4 5 →